Spartan Properties Archive 132 PROP STRING INITIAL_KEYWORDS 5 BEGIN "TSOPT" "B3LYP" "6-31G*" "FREQ" "OPTCYCLES=9000" END PROP STRING PREFERENCE_KEYWORDS 1 BEGIN "MM:CONF_SELECTION_RULE=2" END PROP STRING CALCULATION_PRODNAME = "MacSPARTAN '14" PROP STRING CALCULATION_VERSION = " 14.119_" PROP STRING CALCULATION_TARGET = "x86/Darwin" PROP STRING CALCULATION_CPUTARGET = "P4e" PROP STRING CALC_MACHINEHOSTNAME = "ngmac.ch.liv.ac.uk" PROP STRING CALC_START_TIMESTAMP = "Wed Jun 22 16:17:14 2016" PROP STRING CALC_START_TIMESTAMP2 = "2016-06-22 16:17:14.469" PROP STRING CALCULATION_EXE_PATH = "/Applications/Spartan 14.app/Contents/SharedSupport/P4e" PROP STRING CALCULATION_EXE_TIME = "2015-04-16 21:03" PROP STRING CALCULATION_PATCH_LEVEL = "p1.0.0" PROP VALUE:STATIC ORIGINAL_ATOM_COUNT = 29.00000000 PROP VALUE:BYATOM:STATIC ORIGINAL_COORDS 29 3 BEGIN -0.1520896650 0.9568944470 0.5186297990 1.6479164120 0.8836679880 -1.6207215170 -2.6105844160 2.2617482670 0.4422166960 1.7103845950 0.049299705000 -0.5891052070 2.6760274570 1.1559612080 0.4892396330 0.6080057350 2.2125270000 1.0517214720 0.4485692950 3.2398238510 0.090862592000 -0.5047918700 3.4494753170 0.033167019000 2.0678318330 2.0117747980 1.1508271500 4.1673223670 0.9382590360 0.5075033280 4.5395702620 1.0600798360 -0.5053132380 4.3601288700 -0.091502545000 0.7917934600 4.8803763070 1.9073760140 1.4610925140 5.9477026080 1.7239822610 1.4401348010 4.5229293420 1.7762547400 2.4733389700 4.6933759870 2.9315247450 1.1698177520 0.1504059330 2.6179332250 2.4544803630 0.6670672390 3.5371969320 2.6894958470 0.4333312990 1.8644954840 3.1766302580 -0.9149104100 2.7740076610 2.4650908980 -0.6313009810 1.0595111880 -0.4233680080 -0.5291047990 -0.1766232710 1.4273354230 -1.1349928500 0.2351389200 2.2221561530 0.3437315260 -0.6258332530 1.8833122970 -1.3617662600 -1.2426748770 0.7252274220 -0.8368221110 -1.6400666560 -0.1369885580 -2.2870140780 -0.7851202050 0.4011909980 -1.5713559310 -2.2657303610 1.7166675430 -2.3299436940 -2.8193814550 1.4935641400 END PROP VALUE DIPDERIV 87 3 BEGIN 1.8469581705 -0.5525580618 -0.3168111404 -0.8567934259 0.5099088682 0.010733981808 -0.7458709297 -0.077741063410 0.4423402869 0.1323042566 -0.062577569898 -0.015992076901 -0.001193407707 -0.013416293593 0.060012760371 -0.052632025484 0.006422342333 0.1089080626 -1.2384596047 0.2147571964 0.002263217037 0.2480632271 -0.7236429234 0.001771556909 -0.069370047813 0.044951198950 -0.5278656856 -1.2278358882 0.1969259641 0.047569903281 0.2451680619 -0.1409472694 -0.3470982021 0.3619551457 -0.4397289598 -0.3407559620 1.0612679737 0.079917463259 0.2114712220 0.4216480952 0.4661895706 0.4708040496 0.5068422968 0.5899850266 0.5316177495 0.7894197300 -0.1158874458 -0.019115158206 0.081861944648 0.6693725385 -0.0007428724 0.054182855358 -0.040663026913 0.5556141917 -0.6005994225 -0.035300992807 0.008734359332 -0.029832742738 -0.7370941177 0.1095384743 -0.075087928778 0.1781513779 -0.5775255951 0.3439316862 0.1590254777 0.023105939444 0.049249666897 0.3634423932 -0.012039518220 0.011964125901 -0.013008971474 0.2607324568 -0.8167189916 0.046009554271 -0.015189375038 -0.2231369499 -0.5076605169 -0.2834327470 -0.038268720175 -0.3740077692 -0.5640028256 -0.013966562749 0.061960563201 0.037170221174 -0.040147535546 0.047589667066 -0.085215963485 -0.080331614896 -0.083960626115 0.073012977900 0.010223086595 -0.004989867812 -0.016335235461 -0.035652842357 0.066934896711 -0.002058938380 -0.019731118012 0.001468262983 -0.094293318761 -0.010262639345 -0.027130824756 -0.007710292932 -0.018624655659 -0.088747103101 0.009368870198 -0.038315373887 0.013301880688 0.057550285229 0.022144218194 -0.046593175301 -0.044704148894 0.083869455437 0.073441398997 0.003689825359 0.048500458136 -0.005783351483 0.073851918204 -0.1836501170 0.013963075807 -0.018377137043 0.009748374339 0.050421554427 -0.023452256394 -0.028155346684 -0.025480533278 0.054321170328 0.058575173623 -0.014742095307 0.074266231345 -0.046777166620 0.040001595008 0.019951418390 0.017492725681 0.010063636002 -0.081607720385 0.082219205242 0.044589759330 -0.012578781642 -0.009178157311 -0.079781967160 0.019481951168 -0.033865822689 0.037120540691 0.034323828774 -0.1224453811 0.011648912791 -0.020363902250 -0.008810997692 0.029841261105 -0.1140517478 0.006298656884 0.007244843550 -0.043488438736 0.034345009358 -0.078723851651 -0.034051995629 -0.067672637493 -0.032899796611 -0.042329308677 -0.024418465368 -0.020272739075 0.023275295942 0.054589193431 0.032120338352 -0.030521612703 0.034391706124 -0.039567524398 0.093533630413 -0.018234985116 0.062917146490 -0.027256702416 -0.012242603516 0.034112631372 0.043894627359 0.017033497425 0.072292420642 0.016054888715 0.018694132079 0.019040976155 0.087732219491 -0.1794230474 0.062698684622 0.032689128234 0.092193093662 -0.026107469338 -0.017134395902 0.1824016281 -0.028152814844 -0.004976498141 0.019652605225 -0.1288421980 0.1121977513 -0.080433577666 -0.061893153664 0.054208549522 0.028874566989 0.1245837542 -0.1827000437 -0.002277000469 0.022677630262 0.033769841793 0.076131646304 -0.010828616644 -0.008174087198 -0.024800160981 -0.049420238368 0.052704291901 -0.097539882305 0.047708959038 -0.074550913182 0.043905741457 0.00032890790 0.034719669942 -0.036957113258 -0.049797583077 0.060236285560 0.2961447338 0.1487802699 -0.1451239669 0.1371277988 0.7175494547 -0.2409034072 -0.1680434389 -0.2423500672 0.4725382727 -0.035617466145 0.010533684139 0.1175840448 -0.002275697490 -0.051424577222 -0.013593140787 0.098990104291 0.016727429556 -0.1543916871 -0.064482196076 0.012294693730 -0.047428827480 0.035795444847 0.010847290836 0.038602086459 -0.003146833992 0.062488202267 -0.008076946173 -0.3721013692 -0.062986828137 0.1408759870 -0.1016458178 -0.8562956521 0.2636750817 0.2175003431 0.3305499181 -0.5235607581 0.2261708901 -0.069417421968 -0.066654764022 -0.053485811822 0.2522147047 -0.015587917906 -0.096207439324 -0.054684181691 0.2419878149 END PROP STRING INPUT_STRUCT_HASH1 = "96557acf08abb29d2ab7268effc5e434" PROP VALUE SCF_ITERS = 10.00000000 PROP VALUE SCF_CTIME = 14.50718200 PROP VALUE SCF_WTIME = 17.07870000 PROP VALUE SCF0_TIME 1 2 BEGIN 14.5071820000 17.0787000000 END PROP VALUE CORR_ENERGIES 1 BEGIN -3491.6743057 END PROP VALUE QM_DIPOLE 3 BEGIN 7.4482404444 -4.1974572440 -1.2148633431 END PROP VALUE QM_QUADPOLE 6 BEGIN -6.3020267959 -4.5056334235 10.8076602194 27.9082214958 -9.7505535033 15.0127199159 END PROP VALUE QM_OCTPOLE 10 BEGIN 820.8266539213 167.1316605379 -17.7013931042 -469.2750407715 59.4817270792 -686.2436096816 -109.3475915154 -134.5830442397 -41.7803339751 302.1433802336 END PROP VALUE:BYATOM GRADIENT 29 3 BEGIN 1.1407342E-05 -9.273363E-07 7.3874013E-06 -1.291526E-05 -1.561827E-06 -3.326728E-06 -3.058848E-05 3.2458153E-05 1.0617372E-05 4.0115534E-06 1.9220030E-05 -1.976984E-06 -2.820838E-05 -1.325602E-05 1.1337519E-05 -9.311223E-06 -2.195897E-05 1.3882404E-05 5.2900230E-05 -5.398967E-06 9.7562579E-06 2.9942522E-05 -6.884562E-06 1.0418602E-05 1.3466554E-06 3.3037301E-05 -5.314735E-05 -4.663209E-05 1.5157006E-05 2.0298517E-05 3.0253978E-05 -8.198948E-06 -9.173326E-05 -1.061104E-06 -6.000736E-05 -1.320829E-05 4.5350059E-05 -3.410041E-05 -2.732355E-05 -6.701201E-06 -1.723109E-05 -1.150584E-05 -1.004805E-05 -3.868110E-05 5.8486285E-05 9.4876732E-06 1.7401876E-05 -4.703679E-06 9.7234506E-06 9.5125511E-07 -8.577726E-06 6.8920851E-06 -2.592534E-06 1.3702448E-06 1.7609459E-06 1.8646541E-05 -6.442354E-06 1.8371210E-05 1.2550354E-05 1.4766759E-05 -2.426944E-05 1.0889287E-05 1.3796367E-05 1.5407386E-05 2.0302695E-06 -8.125252E-06 6.1815791E-06 7.2197967E-06 1.6838514E-06 2.6968296E-06 -1.781997E-07 1.5012899E-05 7.6587671E-06 -1.160469E-07 2.0196287E-06 2.0155379E-06 3.8637806E-05 -2.949178E-05 -3.459216E-05 -1.694850E-05 2.0115211E-05 0.00013531248 9.4528643E-05 7.3015207E-05 -0.0001863929 -7.468651E-05 -2.440171E-05 END PROP VALUE GRAD_INFO 10 BEGIN 0.00034517714 0.00020227661 6.4097786E-05 -0.0001863929 3.7006874E-05 29.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 END PROP VALUE GNORM = 1.191472581E-07 PROP VALUE drvTime 1 2 BEGIN 887.4400000000 946.8332000000 END PROP VALUE QC_OPTCYCLES = 26.00000000 PROP VALUE QC0_TIME 1 2 BEGIN 497.1300000000 587.4638020000 END PROP VALUE QC_MEMSTAT 2 BEGIN 156.8013153076 313.4651107788 END PROP VALUE IR_INTENS0 81 BEGIN 410.9923833637 0.1011524061 4.3097752115 0.5880528825 0.1538308504 6.0450205686 5.7399700448 2.8681446874 3.1488902158 5.0605060677 1.4253662407 3.0477543843 81.6690860442 23.7539122956 16.8175122293 2.5902277684 7.7638157105 14.5976187629 28.3443325882 15.9177329223 47.1505051098 24.1746839829 12.6807281267 23.8420494884 11.6329575598 26.8101826957 73.3044925766 40.4082335747 14.3952989441 9.6680991683 34.4224675658 14.3013119154 78.3773018532 14.8646892034 21.8906588016 21.3964707334 7.5505007065 50.3173475332 28.9537601375 85.6812668592 14.6447278674 0.3077143109 20.3893722991 18.3785436972 67.8149760010 59.7437210961 1.2131803872 2.0150793699 0.052162112671 77.3082960911 1.0220266969 3.0972609531 13.1021630213 95.7383146208 23.9585767817 4.3417602224 8.2389175551 15.0595241076 7.9879225661 4.7311746976 7.0731291632 8.0018893156 2.6800564817 7.8242564913 76.0846616161 1.6524897410 53.6926562472 6.8507813096 4.2777973688 16.7799010250 5.2697534999 17.1916083128 17.1989351855 8.7315629431 19.1725828493 10.2612863036 14.8775988311 0.8798647617 3.2141487438 132.9564667554 26.0289979804 END PROP VALUE GX_ZPVE = 148.7366734 PROP VALUE GX_THERMO 6 BEGIN 148.7366734422 155.5344314199 0.8888115018 0.8888115018 0.5925410012 1.6626615849 END PROP VALUE MULTI_STEP_ENERGIES 4 BEGIN 2001.0000000 -3491.6743057 2002.0000000 -3491.6743057 END PROP VALUE QC2_TIME 1 2 BEGIN 902.0100000000 965.8716290000 END PROP VALUE SOLV_SM54_A = -24.50834463 PROP VALUE SOLV_CORRECTION = -24.50834463 PROP VALUE PROP_KEYWORDS = 0.000000000 PROP VALUE PROP_ISOTOPES 0 2 BEGIN END PROP STRING PROP_RCS = "OK" PROP VALUE PRUNE_VERBOSE = -1.000000000 PROP STRING SYM_STRING = "C1" PROP VALUE SYM_ORD = 1.000000000 PROP VALUE NUMBASISFN = 251.0000000 PROP VALUE NUMELECTRONS = 138.0000000 PROP VALUE ARCCHARGE = 0.000000000 PROP VALUE ARCMULT = 1.000000000 PROP VALUE HOMO_N = 69.00000000 PROP VALUE E_KCAL = -2191059.008 PROP STRING DO_QSAR = "STARTED" PROP VALUE:BYATOM ATOMIC_CPK_VOLUME 29 BEGIN 12.5204113267 3.5375624698 26.3300016391 17.1934424080 14.7833524275 10.8342793690 7.6734725777 3.0151212543 4.1544323735 15.5096593697 1.5934545672 1.5923992366 20.9180087078 1.5677698213 1.5632145169 1.5610216583 20.6282183593 1.5572465714 1.5666307022 1.4508957857 1.3829533079 14.9994501850 1.5397273824 1.5930256651 18.7588880628 1.6161226315 1.5896537990 7.6966859583 3.5428487222 END PROP VALUE:BYATOM ATOMIC_CPK_AREA 29 BEGIN 2.6127594119 8.6155919795 34.3577452714 18.0414738751 9.7346150191 1.7727355006 11.9210421115 5.5097704589 6.0500832703 10.8326180081 5.4880056922 5.4859244498 18.5322784275 5.4372243203 5.4281898522 5.4238377239 16.3001494664 5.4163406904 5.3346934646 4.3994723259 4.4856382054 7.7960848484 5.0293645044 5.4871598979 13.8305586331 5.5326032253 5.4805080163 11.7704386631 8.3557227489 END PROP VALUE CPKVOLUME = 222.2699509 PROP VALUE CPKAREA = 254.4626301 PROP VALUE OVALITY = 1.434011786 PROP VALUE WEIGHT = 270.1940000 PROP VALUE WEIGHT_ISO = 270.1952200 PROP VALUE E_HOMO = -0.2175738925 PROP VALUE E_LUMO = -0.1001226112 PROP VALUE TOT_ELECTRONEG = 0.1588482518 PROP VALUE TOT_HARDNESS = 0.05872564062 PROP VALUE EST_POLARIZ = 58.64862874 PROP STRING:MSG LogP_GC = "FAILED" PROP VALUE MO_ENERGY 251 BEGIN -482.7653606800 -88.9508184360 -62.4237513600 -56.2431722360 -56.2421615580 -56.2419800690 -19.1544928570 -19.1527769420 -14.3772590240 -10.3102455060 -10.3088102830 -10.2841747930 -10.2435685110 -10.2381737450 -10.2144566450 -10.2031785280 -10.1826635400 -8.6099660513 -8.0143767257 -6.4341163021 -6.4306823488 -6.4300312507 -5.9777033637 -5.9748602505 -5.9711081247 -2.5286517425 -2.5278980770 -2.5273270824 -2.5246478505 -2.5246269792 -1.0505840975 -1.0253569011 -0.9696960914 -0.8326340005 -0.8253332967 -0.7917232637 -0.7565037663 -0.6973502410 -0.6828555472 -0.6669220460 -0.6411968203 -0.6115956223 -0.5519603940 -0.5309897551 -0.5269032025 -0.5080360340 -0.4958402170 -0.4882003097 -0.4865302220 -0.4568600046 -0.4408209195 -0.4334257536 -0.4140414289 -0.4089480728 -0.4028806842 -0.3964770829 -0.3886090343 -0.3854989132 -0.3799067824 -0.3615392158 -0.3478755622 -0.3421806156 -0.3346434811 -0.2976311030 -0.2847962165 -0.2772799414 -0.2251960644 -0.2217168718 -0.2175738925 -0.1001226112 -0.057996537662 -0.018656036176 0.014461620939 0.066081145776 0.077064088085 0.1021724667 0.1102661516 0.1193433635 0.1224771008 0.1285694583 0.1325241790 0.1373630281 0.1503776050 0.1575113405 0.1654943654 0.1687196856 0.1719741138 0.1793805931 0.1928675459 0.2004924254 0.2039886945 0.2087613185 0.2220236073 0.2397285182 0.2530748389 0.2709061083 0.2976013353 0.3076617212 0.3190618972 0.3246504704 0.3521575753 0.3701142247 0.4189872603 0.4278085516 0.4522400620 0.4668729629 0.4765634453 0.5072675410 0.5114134555 0.5245714049 0.5323166431 0.5350230126 0.5551028564 0.5580240280 0.5719075960 0.5779974655 0.5826019381 0.5904316716 0.6313673843 0.6328524431 0.6354590623 0.6525023072 0.6576680979 0.6681454164 0.6751252052 0.6872302428 0.6928373405 0.6995997631 0.7045933620 0.7359551393 0.7381858782 0.7582569088 0.7771659247 0.7896352974 0.8112913307 0.8224786413 0.8259456580 0.8314912613 0.8452069122 0.8548690945 0.8571859606 0.8668384995 0.8746009828 0.8847767955 0.8924936433 0.8955806787 0.9165302201 0.9167775442 0.9314953936 0.9450027711 0.9498197929 0.9571205709 0.9662777486 0.9702230673 0.9836977265 0.9845890932 0.9950805382 1.0072399805 1.0452829729 1.0585065523 1.0670608670 1.0866736225 1.1156818056 1.1335622063 1.1616141022 1.1977571027 1.2490152936 1.2808814955 1.3073744074 1.3455515459 1.3611632701 1.4068090660 1.4286653251 1.4537840799 1.4843463434 1.5243647574 1.5420781163 1.5623323889 1.6042573646 1.6123920039 1.6403400690 1.6846144384 1.7146472018 1.7340570537 1.7575525465 1.7665692098 1.7910464105 1.8053261690 1.8262843990 1.8624640467 1.8693088939 1.8811222824 1.8988612987 1.9058640377 1.9362017659 1.9519594912 1.9610941947 1.9759216339 1.9982535970 2.0064196918 2.0477322647 2.0599396827 2.0856808021 2.1309431605 2.1506283136 2.2078146535 2.2278520360 2.2439252532 2.2527225204 2.2601056415 2.2828363042 2.2885000497 2.3078038143 2.3186907787 2.3299341661 2.3990717308 2.4092213398 2.4317426907 2.4406145534 2.4763416278 2.5439099331 2.5456148020 2.6252806812 2.6269775693 2.6427773418 2.6947216110 2.7298815278 2.8089190232 2.8875523559 2.9074083670 2.9692879203 3.0165554468 3.7566745745 3.8405155575 3.8573761186 4.0673541753 4.1003395482 4.1435146812 4.2310503557 4.2763010253 4.3381643436 4.4500123757 4.4999095510 4.6457578809 4.8055771101 4.8166341584 4.8351919554 4.8786125253 4.9105171376 6.3957044077 90.4569229050 END DIPOLE 7.4494457 -4.1987865 -1.2154752 PROP VALUE DIPOLE_VEC 3 BEGIN 7.4494457135 -4.1987864662 -1.2154751795 END PROP VALUE DIPOLE_MAG = 8.637211885 PROP VALUE Q_MINUS_MUL = -0.6406536698 PROP VALUE Q_PLUS_MUL = 0.4240599004 MULLIKEN -0.16971080 0.18110145 -0.62105367 0.040596586 0.11755740 0.40158203 -0.64065367 0.42405990 -0.30298262 -0.30810918 0.17890989 0.18013954 -0.43822084 0.15533837 0.16955273 0.17701385 -0.47192554 0.17599186 0.14532544 0.21033309 0.24827315 -0.27904438 0.22877233 0.16666336 -0.048041275 0.12377805 0.17668816 -0.62202025 0.40008501 PROP VALUE:BYATOM MULCHARGES 29 BEGIN -0.1697108016 0.1811014529 -0.6210536728 0.040596585788 0.1175574043 0.4015820346 -0.6406536698 0.4240599004 -0.3029826196 -0.3081091751 0.1789098872 0.1801395405 -0.4382208416 0.1553383714 0.1695527323 0.1770138518 -0.4719255355 0.1759918649 0.1453254375 0.2103330931 0.2482731528 -0.2790443778 0.2287723267 0.1666633606 -0.048041274726 0.1237780533 0.1766881588 -0.6220202524 0.4000850150 END PROP VALUE Q_MINUS_NAO = -0.7644636650 PROP VALUE Q_PLUS_NAO = 0.5029347267 NPA -0.11872524 0.18960978 -0.64788782 0.13622761 0.20867675 0.41188057 -0.76446367 0.50293473 -0.40596184 -0.51224740 0.26356494 0.26354112 -0.67633527 0.24092009 0.24369477 0.24768702 -0.70141379 0.25806252 0.23376921 0.26985166 0.29346621 -0.54198107 0.29981312 0.25477098 -0.089192278 0.18862057 0.22664513 -0.75519014 0.47966173 PROP VALUE:BYATOM NATCHARGES 29 BEGIN -0.1187252408 0.1896097799 -0.6478878176 0.1362276086 0.2086767458 0.4118805668 -0.7644636650 0.5029347267 -0.4059618383 -0.5122474011 0.2635649400 0.2635411190 -0.6763352738 0.2409200948 0.2436947735 0.2476870216 -0.7014137855 0.2580625229 0.2337692070 0.2698516589 0.2934662085 -0.5419810651 0.2998131171 0.2547709776 -0.089192277773 0.1886205736 0.2266451273 -0.7551901373 0.4796617326 END PROP VALUE:ATOMPAIR MULL_BONDORDER 35 3 BEGIN 1 3 0.3259838049 1 4 0.4440168851 1 6 0.9075701215 1 7 0.025352706056 1 21 0.8782858545 1 22 0.9802096414 2 4 0.9076033044 3 4 0.088093932573 3 8 0.1235482238 3 20 0.033209260007 4 5 0.8469381238 4 9 0.056458448072 5 6 0.043413239854 5 9 1.9097261432 5 10 0.9732063785 6 7 0.9487715206 6 9 0.9154242721 6 17 0.9957127104 7 8 0.6834607523 10 11 0.9189480132 10 12 0.9192919641 10 13 1.0152871968 13 14 0.9421980695 13 15 0.9466024665 13 16 0.9449859342 17 18 0.9319842096 17 19 0.9292098686 17 20 0.9064562048 22 23 0.8916168897 22 24 0.9130006165 22 25 0.9993803615 25 26 0.9225117974 25 27 0.9118712821 25 28 0.9525628246 28 29 0.7871916977 END PROP VALUE MULL_ATOMCLASS 37 BEGIN 16.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 8.0000000000 1.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000000 0.0000000 0.0000000 END PROP VALUE MULL_BONDCLASS_C_H 18 BEGIN 13.0000000000 13.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 14.2317323785 15.5806472686 11.8752390665 11.9569631708 11.0025175094 14.1404008353 10.1287205073 9.3283778954 8.5949699818 10.8481307480 9.9101702919 9.0535957268 END PROP VALUE MULL_BONDCLASS_O_H 18 BEGIN 2.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 1.9544376523 1.9100616221 2.0467834940 1.4706524500 1.0867893689 2.7334804078 0.8070569143 0.6021916483 0.4514061958 2.0948240397 2.1441586538 2.1948254988 END PROP VALUE MULL_BONDCLASS_S_H 18 BEGIN 1.0000000000 1.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 1.3509444773 1.8250509807 0.7402228713 0.9076033044 0.8237437582 1.1018029519 0.7476325570 0.6785537792 0.6158576523 0.5479298993 0.4055902433 0.3002271745 END PROP VALUE MULL_BONDCLASS_C_C 18 BEGIN 6.0000000000 6.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 9.1615209575 13.9915574877 3.9302188892 5.8713664100 5.7526381221 6.1394332004 5.6430019891 5.5417185752 5.4481153939 2.5749197214 1.6872978379 1.1058609651 END PROP VALUE MULL_BONDCLASS_C_N 18 BEGIN 2.0000000000 1.0000000000 1.0000000000 0.0000000 0.0000000 0.0000000 2.7242957399 3.7361994692 1.4783507440 2.8251504153 4.4850555399 1.6160249384 7.7320012614 14.0032491340 26.0441257751 1.1002123618 0.8242664046 0.6215199051 END PROP VALUE MULL_BONDCLASS_C_O 18 BEGIN 2.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 2.8278442135 3.9984910973 1.4145544838 1.9013343452 1.8075433331 2.1037940616 1.7183857747 1.6336324320 1.5530654250 1.0005171374 0.7076924310 0.5005871920 END PROP VALUE MULL_BONDCLASS_C_S 18 BEGIN 1.0000000000 1.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 1.8808583997 3.5376283198 0.5316721345 0.8469381238 0.7173041855 1.1807238001 0.6075122611 0.5145252946 0.4357710876 0.2826752586 0.1502905581 0.079905301805 END PROP STRING:TAGGED MULL_WHATOMTYPES 7 2 BEGIN "Br" "1" "C2" "2" "C3" "6" "H" "16" "N2" "1" "O" "2" "S" "1" END PROP STRING:TAGGED MULL_WHBONDTYPES 10 2 BEGIN "C2_C3_s" "3" "C2_H_s" "1" "C2_N2_d" "1" "C2_S_s" "1" "C3_C3_s" "3" "C3_H_s" "12" "C3_N2_s" "1" "C3_O_s" "2" "H_O_s" "2" "S_H_s" "1" END PROP VALUE:ATOMPAIR LOW_BONDORDER 56 3 BEGIN 1 3 0.3373123156 1 4 0.5069496126 1 6 0.9760997195 1 7 0.074535126832 1 9 0.043714599568 1 17 0.043089508196 1 21 0.8693919424 1 22 1.1083191314 1 23 0.025725898054 1 25 0.043878599619 2 4 0.9521613472 3 4 0.091067909632 3 7 0.040807322211 3 8 0.1003311766 3 17 0.027504699593 3 20 0.027719593316 3 21 0.038606107605 4 5 0.9559902652 4 6 0.039601273277 4 9 0.1448215893 4 10 0.063595098460 4 22 0.030520739402 5 6 0.082938057224 5 9 2.1306063360 5 10 1.0701585304 5 11 0.025633107616 5 12 0.025574662513 5 13 0.039691255733 6 7 1.1821152769 6 9 1.0274942670 6 17 1.0347432108 6 22 0.034419357004 7 8 0.7766752022 7 9 0.052466378345 7 17 0.059075643919 9 10 0.067256433007 9 17 0.054064403277 10 11 0.8970208877 10 12 0.8976865754 10 13 1.0969604963 13 14 0.9407586057 13 15 0.9433897485 13 16 0.9426463192 17 18 0.9284591415 17 19 0.9306109403 17 20 0.9134909860 22 23 0.8748590831 22 24 0.8930675619 22 25 1.0693896082 22 28 0.055827755727 25 26 0.9120378883 25 27 0.9090136499 25 28 1.1721009285 26 28 0.036622139675 27 28 0.030748910552 28 29 0.8529187138 END PROP VALUE LOW_ATOMCLASS 37 BEGIN 16.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 8.0000000000 1.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000000 0.0000000 0.0000000 END PROP VALUE LOW_BONDCLASS_C_H 18 BEGIN 13.0000000000 13.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 14.2317323785 15.5806472686 11.8752390665 11.8524333298 10.8135289568 14.2684617694 9.8723538798 9.0191313133 8.2451134568 10.8481307480 9.9101702919 9.0535957268 END PROP VALUE LOW_BONDCLASS_O_H 18 BEGIN 2.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 1.9544376523 1.9100616221 2.0467834940 1.6295939160 1.3306947020 2.4599841682 1.0889824695 0.8930927246 0.7339920364 2.0948240397 2.1441586538 2.1948254988 END PROP VALUE LOW_BONDCLASS_S_H 18 BEGIN 1.0000000000 1.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 1.3509444773 1.8250509807 0.7402228713 0.9521613472 0.9066112312 1.0502421705 0.8632401713 0.8219439244 0.7826232344 0.5479298993 0.4055902433 0.3002271745 END PROP VALUE LOW_BONDCLASS_C_C 18 BEGIN 6.0000000000 6.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 9.1615209575 13.9915574877 3.9302188892 6.3556706966 6.7439912164 5.6743397735 7.1678517567 7.6304177590 8.1351567419 2.5749197214 1.6872978379 1.1058609651 END PROP VALUE LOW_BONDCLASS_C_N 18 BEGIN 2.0000000000 1.0000000000 1.0000000000 0.0000000 0.0000000 0.0000000 2.7242957399 3.7361994692 1.4783507440 3.1581006030 5.5952278278 1.4425914006 10.7566233961 21.7215055503 45.0504526306 1.1002123618 0.8242664046 0.6215199051 END PROP VALUE LOW_BONDCLASS_C_O 18 BEGIN 2.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 2.8278442135 3.9984910973 1.4145544838 2.3542162054 2.7712171144 1.6991100355 3.2621401686 3.8401000602 4.5205400350 1.0005171374 0.7076924310 0.5005871920 END PROP VALUE LOW_BONDCLASS_C_S 18 BEGIN 2.0000000000 2.0000000000 0.0000000 0.0000000 0.0000000 0.0000000 4.2273507440 9.0436546418 0.9578401560 1.4629398778 1.1709152969 3.0186183862 1.0039811161 0.9012929162 0.8319690504 0.4642944412 0.2276908458 0.1128908293 END PROP STRING:TAGGED LOW_WHATOMTYPES 7 2 BEGIN "Br" "1" "C2" "1" "C3" "7" "H" "16" "N2" "1" "O" "2" "S" "1" END PROP STRING:TAGGED LOW_WHBONDTYPES 10 2 BEGIN "C2_C3_s" "1" "C2_N2_d" "1" "C2_S_s" "1" "C3_C3_s" "5" "C3_H_s" "13" "C3_N2_s" "1" "C3_O_s" "2" "C3_S_s" "1" "H_O_s" "2" "S_H_s" "1" END PROP VALUE CHELP_INFO = 1025.501000 PROP VALUE:BYATOM EPN_AU 29 BEGIN -14.6531595049 -0.9587192325 -175.7748250940 -59.1179292304 -14.6239127207 -14.6107360038 -22.3075603123 -0.9897211907 -18.3196315319 -14.6856315853 -1.0703448902 -1.0707812703 -14.7198500326 -1.0993176294 -1.1030897895 -1.1039089290 -14.7431713253 -1.1153034177 -1.1085272654 -1.1175795529 -1.0657694294 -14.7102531269 -1.0894867845 -1.0871870697 -14.6780506643 -1.1145938804 -1.1150233416 -22.3075261671 -0.9883406789 END PROP VALUE EPN_O = -22.30756031 PROP VALUE EPN_N = -18.31963153 PROP VALUE Q1_POINTS = 146.0000000 PROP VALUE Q1_COORDS 146 3 BEGIN -0.4640983000 -0.4949446000 -0.3250014000 -0.6640983000 -0.4949446000 -0.3250014000 -0.5640983000 -0.3949446000 -0.3250014000 -0.5640983000 -0.5949446000 -0.3250014000 -0.5640983000 -0.4949446000 -0.2250014000 -0.5640983000 -0.4949446000 -0.4250014000 -0.6218333259 -0.5526796259 -0.3827364259 -0.5063632741 -0.4372095741 -0.3827364259 -0.5063632741 -0.5526796259 -0.2672663741 -0.6218333259 -0.4372095741 -0.2672663741 2.6201665000 -0.3621786000 -4.4195285000 -5.2777664000 1.9260444000 -0.5151728000 -5.4777664000 1.9260444000 -0.5151728000 -5.3777664000 2.0260444000 -0.5151728000 -5.3777664000 1.8260444000 -0.5151728000 -5.3777664000 1.9260444000 -0.4151728000 -5.3777664000 1.9260444000 -0.6151728000 -5.4355014259 1.8683093741 -0.5729078259 -5.3200313741 1.9837794259 -0.5729078259 -5.3200313741 1.8683093741 -0.4574377741 -5.4355014259 1.9837794259 -0.4574377741 2.9957475000 -2.1102274000 -2.5794864000 2.7957475000 -2.1102274000 -2.5794864000 2.8957475000 -2.0102274000 -2.5794864000 2.8957475000 -2.2102274000 -2.5794864000 2.8957475000 -2.1102274000 -2.4794864000 2.8957475000 -2.1102274000 -2.6794864000 2.8380124741 -2.1679624259 -2.6372214259 2.9534825259 -2.0524923741 -2.6372214259 2.9534825259 -2.1679624259 -2.5217513741 2.8380124741 -2.0524923741 -2.5217513741 4.8443518000 0.033436200000 -0.4299593000 4.6443518000 0.033436200000 -0.4299593000 4.7443518000 0.1334362000 -0.4299593000 4.7443518000 -0.066563800000 -0.4299593000 4.7443518000 0.033436200000 -0.3299593000 4.7443518000 0.033436200000 -0.5299593000 4.6866167741 -0.024298825883 -0.4876943259 4.8020868259 0.091171225883 -0.4876943259 4.8020868259 -0.024298825883 -0.3722242741 4.6866167741 0.091171225883 -0.3722242741 0.9056706000 1.9168586000 0.6884227000 0.7056706000 1.9168586000 0.6884227000 0.8056706000 2.0168586000 0.6884227000 0.8056706000 1.8168586000 0.6884227000 0.8056706000 1.9168586000 0.7884227000 0.8056706000 1.9168586000 0.5884227000 0.7479355741 1.8591235741 0.6306876741 0.8634056259 1.9745936259 0.6306876741 0.8634056259 1.8591235741 0.7461577259 0.7479355741 1.9745936259 0.7461577259 0.5739162000 3.8820105000 -1.0674725000 0.3739162000 3.8820105000 -1.0674725000 0.4739162000 3.9820105000 -1.0674725000 0.4739162000 3.7820105000 -1.0674725000 0.4739162000 3.8820105000 -0.9674725000 0.4739162000 3.8820105000 -1.1674725000 0.4161811741 3.8242754741 -1.1252075259 0.5316512259 3.9397455259 -1.1252075259 0.5316512259 3.8242754741 -1.0097374741 0.4161811741 3.9397455259 -1.0097374741 -1.3686208000 4.1400152000 -1.1627531000 3.6708006000 1.6205477000 0.8664325000 3.4708006000 1.6205477000 0.8664325000 3.5708006000 1.7205477000 0.8664325000 3.5708006000 1.5205477000 0.8664325000 3.5708006000 1.6205477000 0.9664325000 3.5708006000 1.6205477000 0.7664325000 3.5130655741 1.5628126741 0.8086974741 3.6285356259 1.6782827259 0.8086974741 3.6285356259 1.5628126741 0.9241675259 3.5130655741 1.6782827259 0.9241675259 7.6563094000 -0.3808165000 -0.4340730000 7.4563094000 -0.3808165000 -0.4340730000 7.5563094000 -0.2808165000 -0.4340730000 7.5563094000 -0.4808165000 -0.4340730000 7.5563094000 -0.3808165000 -0.3340730000 7.5563094000 -0.3808165000 -0.5340730000 7.4985743741 -0.4385515259 -0.4918080259 7.6140444259 -0.3230814741 -0.4918080259 7.6140444259 -0.4385515259 -0.3763379741 7.4985743741 -0.3230814741 -0.3763379741 8.2288633000 -0.1322201000 -2.3837253000 7.9053169000 -2.3793038000 0.010898400000 9.0828959000 1.3558467000 1.3829403000 8.8828959000 1.3558467000 1.3829403000 8.9828959000 1.4558467000 1.3829403000 8.9828959000 1.2558467000 1.3829403000 8.9828959000 1.3558467000 1.4829403000 8.9828959000 1.3558467000 1.2829403000 8.9251608741 1.2981116741 1.3252052741 9.0406309259 1.4135817259 1.3252052741 9.0406309259 1.2981116741 1.4406753259 8.9251608741 1.4135817259 1.4406753259 11.0096588000 0.9535108000 1.2890151000 8.3468531000 1.0764159000 3.3295582000 8.6813285000 3.3425784000 0.9025496000 0.046749800000 2.6556938000 3.3681111000 -0.1532502000 2.6556938000 3.3681111000 -0.053250200000 2.7556938000 3.3681111000 -0.053250200000 2.5556938000 3.3681111000 -0.053250200000 2.6556938000 3.4681111000 -0.053250200000 2.6556938000 3.2681111000 -0.1109852259 2.5979587741 3.3103760741 0.004484825883 2.7134288259 3.3103760741 0.004484825883 2.5979587741 3.4258461259 -0.1109852259 2.7134288259 3.4258461259 0.9540357000 4.3887004000 3.8635853000 0.4512024000 1.1923545000 4.7413122000 -2.0868676000 2.9844618000 3.4205720000 -1.5562163000 -0.2995144000 -2.0920232000 -1.1208850000 -2.6556190000 1.3908973000 -1.3208850000 -2.6556190000 1.3908973000 -1.2208850000 -2.5556190000 1.3908973000 -1.2208850000 -2.7556190000 1.3908973000 -1.2208850000 -2.6556190000 1.4908973000 -1.2208850000 -2.6556190000 1.2908973000 -1.2786200259 -2.7133540259 1.3331622741 -1.1631499741 -2.5978839741 1.3331622741 -1.1631499741 -2.7133540259 1.4486323259 -1.2786200259 -2.5978839741 1.4486323259 -2.3908739000 -1.9115967000 2.9271800000 0.4903562000 -3.4106762000 2.2943347000 -2.5627317000 -4.7922038000 0.1021814000 -2.7627317000 -4.7922038000 0.1021814000 -2.6627317000 -4.6922038000 0.1021814000 -2.6627317000 -4.8922038000 0.1021814000 -2.6627317000 -4.7922038000 0.2021814000 -2.6627317000 -4.7922038000 0.002181400000 -2.7204667259 -4.8499388259 0.044446374117 -2.6049966741 -4.7344687741 0.044446374117 -2.6049966741 -4.8499388259 0.1599164259 -2.7204667259 -4.7344687741 0.1599164259 -1.6169621000 -5.4590073000 -1.5740165000 -4.5009974000 -4.0692614000 -0.5365274000 -2.8223568000 -6.7531265000 1.9218503000 -3.0223568000 -6.7531265000 1.9218503000 -2.9223568000 -6.6531265000 1.9218503000 -2.9223568000 -6.8531265000 1.9218503000 -2.9223568000 -6.7531265000 2.0218503000 -2.9223568000 -6.7531265000 1.8218503000 -2.9800918259 -6.8108615259 1.8641152741 -2.8646217741 -6.6953914741 1.8641152741 -2.8646217741 -6.8108615259 1.9795853259 -2.9800918259 -6.6953914741 1.9795853259 -4.2150342000 -7.9066100000 1.3312350000 END PROP VALUE Q1_CHARGES 146 BEGIN -2.7982072805 3.9431632382 -1.3208895925 1.1586975103 3.6086283793 -4.4097711352 0.5022823696 -5.6635664273 2.0785377640 3.1804254951 0.1487630395 -4.5911262611 2.0655766012 1.2215688956 7.1348127348 -5.3896378242 -0.6179983474 -6.1625440641 2.0612855992 0.086266162178 3.4662094975 -4.3728171565 -1.4505961417 -2.6997627916 -9.0815942017 8.5146534353 9.2565930849 -1.2375036375 -3.2223838737 2.2746561364 2.3639316011 4.5926930776 -4.5552505260 3.1589175715 7.4122014081 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0.2232772490 0.2258741204 0.1925978197 0.4782979023 1.8405927061 -3.5471827351 2.0701923914 -0.1158665417 -1.1600045356 1.6410948898 -1.4048802970 1.3615651071 -1.9385124887 0.2130560991 0.1336312735 -2.0725134236 -1.3665298562 1.1337561304 2.1522130193 0.5993470097 -0.5417809851 -0.2760871901 -2.0346316092 1.0709771170 1.1446611518 0.1411554451 0.1247844801 -0.1449864054 -0.3683109542 -3.1811645158 -2.0443220353 3.8884036740 1.6312085558 0.1216171997 1.4062454238 -1.2549258909 -0.7626249872 0.4542861736 END PROP VALUE Q1_RMS = 3.171572580 PROP VALUE Q1_PRMS = 1.211543986 PROP VALUE:BYATOM Q1_ATOMIC_MM 29 10 BEGIN 0.2793003209 -2.7795597796 -1.3731509927 3.5666447576 0.043750203450 -0.008986029320 -0.034764174130 -0.1401332141 0.068100988254 0.097737726159 0.1487630395 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.7255870065 -0.9809766212 0.1997991247 -0.089646634297 -0.099514343394 0.3395117225 -0.2399973791 -0.1029286859 -0.1560494637 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0.2258741204 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.1925978197 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.7747036015 -0.3089218157 -2.3586817297 0.1460400320 0.099390591473 -0.053752323756 -0.045638267717 0.010935537092 0.085342770291 -0.003417211338 0.2130560991 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.1336312735 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.1905886360 -0.4482460420 -0.5060335423 0.9541242611 -0.1374620692 0.1338551879 0.003606881309 -0.060871200532 0.022658281876 0.024640112118 0.1411554451 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.1247844801 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 -0.7088599356 0.1730077172 -0.028191534704 0.053431496364 -0.017761267587 -0.2078721797 0.2256334472 0.047679308763 -0.023896437608 -0.010655349210 0.4542861736 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 END CHELP 0.10520360 0.20675991 -0.54454477 -0.21052394 0.42099518 0.56156920 -0.57938198 0.34160139 -0.40887497 -0.18661482 0.097352424 0.11180036 -0.41274267 0.14278969 0.12755875 0.14241549 -0.63388960 0.19525687 0.13187500 0.16945507 0.044755483 0.24700403 0.022055397 0.025930407 0.040394667 0.034850191 0.027383882 -0.65162386 0.43118964 PROP VALUE:BYATOM ESPCHARGES 29 BEGIN 0.1052036017 0.2067599138 -0.5445447731 -0.2105239444 0.4209951786 0.5615691982 -0.5793819791 0.3416013909 -0.4088749701 -0.1866148237 0.097352423781 0.1118003564 -0.4127426736 0.1427896894 0.1275587515 0.1424154933 -0.6338895974 0.1952568655 0.1318749953 0.1694550740 0.044755482682 0.2470040284 0.022055397055 0.025930407356 0.040394667258 0.034850191319 0.027383881696 -0.6516238620 0.4311896354 END PROP VALUE CHELP_RMS = 4.068538111 PROP VALUE CHELP_PRMS = 4.068538111 PROP VALUE:VIBS IR_INTENS 81 BEGIN 410.1504377028 0.1010669561 4.2852871514 0.5812067197 0.1579318947 5.9604056866 5.7642570572 2.8723317065 3.1096721189 5.0475145180 1.4165774164 3.0375363439 81.3977447837 24.0251929796 16.8006682578 2.5830065826 7.7724919867 14.5795842839 28.4249862198 15.9216187044 46.9927103161 24.2426681986 12.6880794239 23.8582676323 11.6116784088 26.6235900823 72.6690606693 41.1771344125 14.3952074709 9.6319425274 34.3705945292 14.3407309089 78.4362846511 14.7637475578 21.8606309636 21.4548546362 7.4934227649 50.3843643578 28.9001694619 85.6452742955 14.6175003399 0.2963043805 20.4509530725 18.2560583729 67.7841604295 59.7308412094 1.2082527923 2.0189238272 0.051437560346 77.2259269633 1.0526412226 3.0811448981 12.8252586052 96.0450663606 23.9677508835 4.3429969855 8.1647397677 15.0956638718 7.9982557694 4.7192163955 7.0779905704 7.9943835590 2.6806091525 7.8113291615 76.0376057405 1.6523205619 53.6784062345 6.8504690806 4.2704433162 16.7903660693 5.2698299621 17.1848301020 17.1988812411 8.7225613629 19.1698267392 10.2580572775 14.8760340239 0.8801708023 3.2126177224 132.9329842678 26.0239467901 END PROP VALUE THERMO_INFO = 11298.14999 PROP VALUE THERMO_TEMP = 298.1499939 PROP VALUE THERMO_PRESS = 1.000000000 PROP VALUE THERMO 10 BEGIN 148.7126487209 123.1274831782 0.8887220600 0.8887220600 7.0942781250 0.042680709205 0.033194098357 0.041681355035 2.9807884560 2.9807884560 END PROP VALUE ZEROPOINT = 148.7126487 PROP VALUE G_THERMO = 123.1274832 PROP VALUE H_TRAN = 0.8887220600 PROP VALUE H_ROT = 0.8887220600 PROP VALUE H_VIB = 7.094278125 PROP VALUE H_TOT = 158.1768523 PROP VALUE S_TRAN = 0.04268070921 PROP VALUE S_ROT = 0.03319409836 PROP VALUE S_VIB = 0.04168135504 PROP VALUE S_TOT = 0.1175561626 PROP VALUE C_TRAN = 2.980788456 PROP VALUE C_ROT = 2.980788456 PROP VALUE C_VIB = 36.67066189 PROP VALUE C_TOT = 42.63223880 PROP VALUE VIBS_CLAMP = 26.00000000 PROP VALUE G_THERMO_0 = 123.1274832 PROP VALUE H_TRAN_0 = 0.8887220600 PROP VALUE H_ROT_0 = 0.8887220600 PROP VALUE H_VIB_0 = 7.094278125 PROP VALUE H_TOT_0 = 158.1768523 PROP VALUE S_TRAN_0 = 0.04268070921 PROP VALUE S_ROT_0 = 0.03319409836 PROP VALUE S_VIB_0 = 0.04168135504 PROP VALUE S_TOT_0 = 0.1175561626 PROP VALUE C_TRAN_0 = 2.980788456 PROP VALUE C_ROT_0 = 2.980788456 PROP VALUE C_VIB_0 = 36.67066189 PROP VALUE C_TOT_0 = 42.63223880 PROP VALUE VIBS_CLAMP_0 = 26.00000000 PROP VALUE MIN_VIBRATIONS = 0.000000000 PROP VALUE FREQ_SCALE = 1.000000000 PROP VALUE FREQ_CLAMP_HVIB = 0.5000000000 PROP VALUE FREQ_QUALITY = 1.000000000 PROP VALUE:VIBS FREQ_MODES 81 87 BEGIN -0.1584793493 0.087697373241 0.057608326698 0.062105387027 -0.024201880210 -0.037163505427 0.020569482434 -0.012403204756 0.007183614795 0.075621944576 -0.035838518648 -0.051506761978 -0.029209256148 -0.024513945995 -0.020207217888 -0.034914153007 0.015633814288 0.008307928338 0.003920574063 0.022577570787 0.003585200765 0.016957556392 0.067239248570 -0.002107660690 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A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " " A " END PROP VALUE:VIBS FREQ_VAL 81 BEGIN -264.6476144948 39.4948427987 60.8626561592 68.5676430707 89.2011230676 100.8038052714 106.8179964362 122.8846024139 136.5764988444 163.6273705499 183.0431892777 207.8872630230 234.9476479446 249.6206628570 258.4113532492 295.1234673023 337.1814930065 344.2952628805 355.2816080600 402.5094373920 440.7772903848 462.6238167153 502.2619210474 554.4751017699 592.2227978378 615.4220946929 639.3618607994 644.2719008630 771.7831324164 786.6259915954 815.5500322664 860.8336989398 914.4104331333 946.5203057211 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