 
    
PROP VALUE ARCCHARGE =       0.000000000 
PROP VALUE ARCMULT =       1.000000000 
PROP VALUE:BYATOM ATOMIC_CPK_AREA 18 BEGIN
    13.1095036412    5.3560813906   13.0133656220    5.3706615124   13.1095036412    5.3560813906 
    12.5890297399    5.3833773828   12.5890297399    5.3833773828    5.9217790958    5.9217790958 
    14.5396976842    5.3123680673   14.8020160425    5.3255778213   14.5396976842    5.3123680673 
END
PROP VALUE:BYATOM ATOMIC_CPK_VOLUME 18 BEGIN
    14.8167053629    1.5270125561   14.8019437756    1.5343099699   14.8167053629    1.5270125561 
    14.7121846711    1.5406836739   14.7121846711    1.5406836739    9.5720175954    9.5720175954 
    15.3767614890    1.5052029797   15.3701157431    1.5117826521   15.3767614890    1.5052029797 
END
PROP STRING CALCULATION_CPUTARGET = "P4e"
PROP STRING CALCULATION_EXE_PATH = "/Applications/Spartan 20.app/Contents/SharedSupport/P4e"
PROP STRING CALCULATION_EXE_TIME = "2021-05-03 19:35"
PROP STRING CALCULATION_PRODNAME = "SPARTAN'20"
PROP STRING CALCULATION_TARGET = "x86/Darwin"
PROP STRING CALCULATION_VERSION = " 1.1.0_"
PROP STRING CALC_MACHINEHOSTNAME = "Nicks-MacBook-Pro-Big-Sur.local"
PROP STRING CALC_START_TIMESTAMP = "Wed Jan 11 11:04:36 2023"
PROP STRING CALC_START_TIMESTAMP2 = "2023-01-11 11:04:36.154"
CHELP
        -0.12958138      0.12131652    -0.092281596      0.12787832     -0.12958138      0.12131652
        -0.22994728      0.17174074     -0.22994728      0.17174074      0.29415230      0.29415230
        -0.61826426      0.23046404      0.17761227      0.10702964     -0.61826426      0.23046404
PROP VALUE CHELP_INFO =       1025.501000 
PROP VALUE CHELP_LINDEPS =       0.000000000 
PROP VALUE CHELP_PRMS =       2.665417548 
PROP VALUE CHELP_RMS =       2.665417548 
PROP VALUE CORR_ENERGIES 1 BEGIN
  -383.2815084474 
END
PROP VALUE CPKAREA =       162.9352950 
PROP VALUE CPKVOLUME =       151.3192888 
DIPOLE
     -1.3771300E-10   7.3549907E-15       1.5143157
PROP VALUE DIPOLE_MAG =       1.514315665 
PROP VALUE DIPOLE_VEC 3 BEGIN
    -1.377130E-10   7.3549907E-15    1.5143156647 
END
PROP STRING DO_QSAR = "STARTED "
PROP VALUE E0 =      -383.2815084 
PROP VALUE:BYATOM EPN_AU 18 BEGIN
   -14.7161520224   -1.1026890808  -14.7002857488   -1.0951956298  -14.7161520222   -1.1026890808 
   -14.6993559384   -1.0943314364  -14.6993559385   -1.0943314364  -14.7226017245  -14.7226017245 
   -14.7499176256   -1.1111349684  -14.7348277698   -1.1099514537  -14.7499176254   -1.1111349684 
END
PROP VALUE ES1 =      -383.1844811 
PROP VALUE:BYATOM ESPCHARGES 18 BEGIN
    -0.1295813832    0.1213165229 -0.092281596352    0.1278783176   -0.1295813832    0.1213165229 
    -0.2299472829    0.1717407440   -0.2299472830    0.1717407440    0.2941523004    0.2941523004 
    -0.6182642601    0.2304640415    0.1776122708    0.1070296429   -0.6182642601    0.2304640415 
END
PROP VALUE EST_POLARIZ =       51.65772624 
PROP VALUE E_HOMO =     -0.2530582105 
PROP VALUE E_KCAL =      -240512.8107 
PROP VALUE E_LUMO =     0.05697912178 
PROP VALUE GRAPH_CMDS_FAILED =       0.000000000 
PROP VALUE GRAPH_CMDS_PASSED =       4.000000000 
PROP VALUE HOMO_N =       34.00000000 
PROP STRING INPUT_STRUCT_HASH1 = "3f1480a48dbb352df8821a810d4b11bc"
PROP VALUE LOW_ATOMCLASS 37 BEGIN
     8.0000000000       0.0000000       0.0000000       0.0000000       0.0000000   10.0000000000 
        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 
        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 
END
PROP VALUE LOW_BONDCLASS_C_C 18 BEGIN
    11.0000000000    1.0000000000       0.0000000       0.0000000   10.0000000000       0.0000000 
    15.4472731390   21.7015511077    7.8361718611   15.5922025717   22.2699813897    7.8377623245 
    31.9909638694   46.1544463314   66.8058453417    5.5844011358    3.9810901176    2.8390425079 
END
PROP VALUE LOW_BONDCLASS_C_H 18 BEGIN
     8.0000000000    8.0000000000       0.0000000       0.0000000       0.0000000       0.0000000 
     8.6925392146    9.4450811372    7.3626758307    7.2377993070    6.5484857979    8.8428289715 
     5.9250642173    5.3612130437    4.8512193770    6.7761613277    6.2364028500    5.7396703905 
END
PROP VALUE:ATOMPAIR LOW_BONDORDER 60  3 BEGIN
    1   2    0.9027093374 
    1   3    1.4847450943 
    1   4  0.028881945831 
    1   5  0.055615816394 
    1   7  0.059455990089 
    1   9    1.4804521504 
    1  10  0.029237826728 
    1  11  0.057154786319 
    1  13  0.037382722172 
    1  17  0.064399509657 
    2   3  0.028891108840 
    2   9  0.029748103872 
    3   4    0.9035921297 
    3   5    1.4847450943 
    3   6  0.028891108844 
    3   7  0.062826600079 
    3   9  0.062826600077 
    3  11  0.052866249605 
    3  12  0.052866249604 
    3  15  0.035063175207 
    4   5  0.028881945828 
    5   6    0.9027093374 
    5   7    1.4804521504 
    5   8  0.029237826735 
    5   9  0.059455990098 
    5  12  0.057154786325 
    5  13  0.064399509651 
    5  17  0.037382722186 
    6   7  0.029748103877 
    7   8    0.8971820603 
    7  11  0.078267334556 
    7  12    1.4378909949 
    7  13  0.061352421489 
    7  15  0.063442627298 
    8  12  0.028137297912 
    9  10    0.8971820603 
    9  11    1.4378909949 
    9  12  0.078267334557 
    9  15  0.063442627296 
    9  17  0.061352421475 
   10  11  0.028137297909 
   11  12    1.0369348476 
   11  13    0.1069624107 
   11  15  0.069952240335 
   11  17    1.4046353322 
   11  18  0.026740998510 
   12  13    1.4046353322 
   12  14  0.026740998515 
   12  15  0.069952240367 
   12  17    0.1069624107 
   13  14    0.9102799085 
   13  15    1.4699102903 
   13  16  0.025805938279 
   13  17  0.072010235641 
   14  15  0.025423012924 
   15  16    0.9138645649 
   15  17    1.4699102902 
   15  18  0.025423012926 
   16  17  0.025805938276 
   17  18    0.9102799086 
END
PROP STRING LOW_WHATOMTYPES 2  2 BEGIN
   "Cx"
   "10"
   "H"
   "8"
END
PROP STRING LOW_WHBONDTYPES 3  2 BEGIN
   "Cx_Cx_a"
   "10"
   "Cx_Cx_s"
   "1"
   "Cx_H_s"
   "8"
END
PROP VALUE LogP_GC =       1.595600000 
PROP STRING MOLABS 166 BEGIN
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "B2 "
   "B1 "
   "A1 "
   "B2 "
   "A2 "
   "B2 "
   "A2 "
   "B2 "
   "A2 "
   "A1 "
   "B1 "
   "B2 "
   "A1 "
   "A1 "
   "B1 "
   "B2 "
   "A1 "
   "A2 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "B2 "
   "B1 "
   "A1 "
   "A1 "
   "B2 "
   "A2 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B2 "
   "A1 "
   "A2 "
   "B1 "
   "B1 "
   "A1 "
   "B2 "
   "A2 "
   "B2 "
   "B2 "
   "A2 "
   "B1 "
   "A1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A2 "
   "B2 "
   "A1 "
   "B2 "
   "A2 "
   "A1 "
   "B1 "
   "B2 "
   "B1 "
   "B2 "
   "A2 "
   "A2 "
   "B2 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "A2 "
   "A1 "
   "A1 "
   "B1 "
   "B2 "
   "B1 "
   "B1 "
   "A2 "
   "A1 "
   "A1 "
   "B1 "
   "B2 "
   "A1 "
   "A2 "
   "B1 "
   "B2 "
   "B2 "
   "A1 "
   "B1 "
   "A2 "
   "B2 "
   "B1 "
   "A2 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "A2 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "B1 "
   "A1 "
   "A1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "B1 "
   "A1 "
   "A1 "
   "B1 "
END
PROP VALUE MOMENT_I 3 BEGIN
   176.6412550105  401.1267611135  577.7680161240 
END
PROP VALUE MOMENT_I_cm 3 BEGIN
   0.095434400073  0.042025748053  0.029177198685 
END
PROP VALUE MO_ENERGY 166 BEGIN
   -11.2618856050  -11.2618812160  -11.2602957130  -11.2426244970  -11.2425739680  -11.2377785220 
   -11.2370805390  -11.2255794000  -11.2087395470  -11.2086848750   -1.1704678312   -1.1085584476 
    -1.0647368411   -0.9978714682   -0.9555495072   -0.8776897583   -0.8420238694   -0.7453595896 
    -0.7400304761   -0.7036161714   -0.6745579466   -0.6246900087   -0.6208203614   -0.5678302793 
    -0.5500780964   -0.5252131140   -0.5244787459   -0.5226175231   -0.5074899736   -0.4731835749 
    -0.4448239590   -0.4005202249   -0.2925214354   -0.2530582105  0.056979121776  0.088904089976 
     0.2196078410    0.2579788445    0.2622632163    0.2769420953    0.3004142887    0.3137171877 
     0.3206160655    0.3259238943    0.3485313052    0.3487234102    0.3554779507    0.3988278310 
     0.4422627028    0.4679302263    0.4799619749    0.5223573027    0.5445802629    0.5635104602 
     0.6050082202    0.6439137302    0.6670921564    0.7285751892    0.7511983839    0.7572923302 
     0.7820763563    0.7914336451    0.7998238819    0.8105247898    0.8193727616    0.8294081290 
     0.8466603792    0.8480825787    0.8495698851    0.8582157287    0.8678662223    0.8820568381 
     0.8872061915    0.9211650947    0.9421894172    0.9464277451    0.9946223438    1.0534456406 
     1.0939574454    1.0989895977    1.1061172794    1.1148824052    1.1186795402    1.1322094099 
     1.1366830143    1.1448480393    1.1779593974    1.1801541254    1.2181781937    1.2362907080 
     1.2697681701    1.2749092719    1.2855424167    1.2990762368    1.3337443290    1.3984277509 
     1.4284408029    1.4567519837    1.5320844784    1.5455903918    1.5482548353    1.6142191105 
     1.6262820666    1.6514978984    1.6565271070    1.6828980544    1.7135585757    1.7409403146 
     1.7544492314    1.7589855560    1.7929520129    1.8427875054    1.8689666436    1.9243687121 
     1.9534044678    2.0329596141    2.0779296598    2.1481630080    2.1594746444    2.1905983988 
     2.2220244279    2.2558997567    2.2562844534    2.2774136881    2.3218731281    2.3387982770 
     2.3680845517    2.3846845249    2.4508907041    2.4613104398    2.4862820314    2.5392859916 
     2.5544732270    2.5654364263    2.5876679612    2.6442228046    2.6805896845    2.7063130420 
     2.7563646410    2.7881576896    2.8057034644    2.8783069380    2.8897034357    2.9785332775 
     3.0114146169    3.0681270076    3.0730473522    3.0836417634    3.0858010802    3.1869119395 
     3.2345251445    3.2818265332    3.4460123458    3.5646742983    3.6833268959    3.7093664447 
     4.4686895082    4.5304225956    4.5443799813    4.5616649643    4.5979869046    4.6706592209 
     4.7395857039    4.9205124812    5.0552671614    5.1508946797 
END
PROP VALUE:BYATOM MULCHARGES 18 BEGIN
    -0.2326436267    0.1983673461   -0.1454008964    0.2040600774   -0.2326436267    0.1983673461 
    -0.1591118039    0.2131744132   -0.1591118040    0.2131744132  0.013989606964  0.013989606963 
    -0.2574197897    0.1941814450   -0.1997446095    0.2000102483   -0.2574197897    0.1941814450 
END
MULLIKEN
        -0.23264363      0.19836735     -0.14540090      0.20406008     -0.23264363      0.19836735
        -0.15911180      0.21317441     -0.15911180      0.21317441     0.013989607     0.013989607
        -0.25741979      0.19418144     -0.19974461      0.20001025     -0.25741979      0.19418144
PROP VALUE MULL_ATOMCLASS 37 BEGIN
     8.0000000000       0.0000000       0.0000000       0.0000000       0.0000000   10.0000000000 
        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 
        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 
END
PROP VALUE MULL_BONDCLASS_C_C 18 BEGIN
    11.0000000000    1.0000000000       0.0000000       0.0000000   10.0000000000       0.0000000 
    15.4472731390   21.7015511077    7.8361718611   15.1804742009   21.0420206117    8.0138729490 
    29.2708252228   40.8344778304   57.0976387087    5.5844011358    3.9810901176    2.8390425079 
END
PROP VALUE MULL_BONDCLASS_C_H 18 BEGIN
     8.0000000000    8.0000000000       0.0000000       0.0000000       0.0000000       0.0000000 
     8.6925392146    9.4450811372    7.3626758307    7.5214616167    7.0717416380    8.5092167615 
     6.6490935217    6.2518772022    5.8785525634    6.7761613277    6.2364028500    5.7396703905 
END
PROP VALUE:ATOMPAIR MULL_BONDORDER 34  3 BEGIN
    1   2    0.9469367545 
    1   3    1.4182998806 
    1   7  0.055991503156 
    1   9    1.4050005200 
    1  13  0.037169716312 
    1  17  0.057523252957 
    3   4    0.9454381767 
    3   5    1.4182998806 
    3  11  0.047293594149 
    3  12  0.047293594149 
    3  15  0.035125955560 
    5   6    0.9469367545 
    5   7    1.4050005200 
    5   9  0.055991503156 
    5  13  0.057523252957 
    5  17  0.037169716312 
    7   8    0.9375265960 
    7  11  0.027896547351 
    7  12    1.3917406681 
    7  15  0.055143771726 
    9  10    0.9375265960 
    9  11    1.3917406681 
    9  12  0.027896547350 
    9  15  0.055143771727 
   11  12    1.0943188682 
   11  13  0.036450337701 
   11  17    1.3939582071 
   12  13    1.3939582071 
   12  17  0.036450337701 
   13  14    0.9354930990 
   13  15    1.4340783907 
   15  16    0.9361105411 
   15  17    1.4340783907 
   17  18    0.9354930990 
END
PROP STRING MULL_WHATOMTYPES 2  2 BEGIN
   "Cx"
   "10"
   "H"
   "8"
END
PROP STRING MULL_WHBONDTYPES 3  2 BEGIN
   "Cx_Cx_a"
   "10"
   "Cx_Cx_s"
   "1"
   "Cx_H_s"
   "8"
END
PROP VALUE:BYATOM NATCHARGES 18 BEGIN
    -0.2883933965    0.2329342783   -0.1487312124    0.2313880026   -0.2883933707    0.2329342782 
    -0.1111046963    0.2328128116   -0.1111046960    0.2328128118 -0.064003094681 -0.064003095213 
    -0.2912715716    0.2289869963   -0.1916934407    0.2291139773   -0.2912715717    0.2289869963 
END
NPA
        -0.28839340      0.23293428     -0.14873121      0.23138800     -0.28839337      0.23293428
        -0.11110470      0.23281281     -0.11110470      0.23281281    -0.064003095    -0.064003095
        -0.29127157      0.22898700     -0.19169344      0.22911398     -0.29127157      0.22898700
PROP VALUE NUMBASISFN =       166.0000000 
PROP VALUE NUMELECTRONS =       68.00000000 
PROP VALUE:STATIC ORIGINAL_ATOM_COUNT =       18.00000000 
PROP VALUE:BYATOM:STATIC ORIGINAL_COORDS 18  3 BEGIN
     1.2633302430       0.0000000    1.9046024060    2.1050250530       0.0000000    2.5926293340 
        0.0000000       0.0000000    2.4943424150       0.0000000       0.0000000    3.5827973130 
    -1.2633302430       0.0000000    1.9046024060   -2.1050250530       0.0000000    2.5926293340 
    -1.5904273700       0.0000000    0.5504496910   -2.6555218700       0.0000000    0.3205664580 
     1.5904273700       0.0000000    0.5504496910    2.6555218700       0.0000000    0.3205664580 
     0.7468563630       0.0000000   -0.5531244420   -0.7468563630       0.0000000   -0.5531244420 
    -1.1470219580       0.0000000   -1.8957018290   -2.1734469260       0.0000000   -2.2415757090 
        0.0000000       0.0000000   -2.6974951420       0.0000000       0.0000000   -3.7818310310 
     1.1470219580       0.0000000   -1.8957018290    2.1734469260       0.0000000   -2.2415757090 
END
PROP STRING ORIGINAL_CRCS_HESS = "c719aa60"
PROP VALUE OVALITY =       1.186501218 
PROP VALUE PROP_ISOTOPES 0  2 BEGIN
END
PROP VALUE PROP_KEYWORDS =       0.000000000 
PROP STRING PROP_RCS = "OK      "
PROP VALUE PRUNE_VERBOSE =      -1.000000000 
PROP VALUE:BYATOM Q1_ATOMIC_MM 18  10 BEGIN
    -0.1732851667   -0.1869120117 -0.002709808263   -0.6633811640    0.5477976717   -0.9806271440 
     0.4328294722  0.005924970998  0.080449304740 -0.015772764716 
     0.1662701053       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
   0.019568053445   4.4325708E-12   5.0931557E-14   -0.2255966651    0.1944835259   -1.0597820906 
     0.8652985646 -0.003010871060   -1.240912E-13   -9.007203E-14 
     0.1245048715       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
    -0.1732851667    0.1869120117  0.002709808263   -0.6633811640    0.5477976717   -0.9806271440 
     0.4328294722  0.005924970998 -0.080449304740  0.015772764715 
     0.1662701053       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
   0.017691197945    0.7015754479  0.006524298659   -0.6134490586    0.6365684641   -0.8396233526 
     0.2030548885 -0.017100419090  0.027052442681 -0.029024688991 
     0.1589232162       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
   0.017691197917   -0.7015754479 -0.006524298660   -0.6134490586    0.6365684641   -0.8396233526 
     0.2030548885 -0.017100419090 -0.027052442681  0.029024688991 
     0.1589232162       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
  -0.040583385272   -0.3262589567 -0.008542853130   -0.8980131246    0.2434584768   -0.5951715152 
     0.3517130384  0.034856221033 -0.031909421574  0.025976144502 
  -0.040583385278    0.3262589567  0.008542853131   -0.8980131246    0.2434584768   -0.5951715152 
     0.3517130384  0.034856221033  0.031909421574 -0.025976144502 
    -0.4799111405    0.4589754654 -0.010778039297   -0.1436594919    0.2205686517   -0.6240834514 
     0.4035147997   0.00037786176  0.012549833601 -0.007868947599 
     0.2165859534       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
  -0.080375483057   1.1492201E-12   8.4264327E-14    0.8627315619    0.3146772427   -0.5669456976 
     0.2522684549 -0.027316865996   5.8788702E-15   -4.144551E-13 
     0.2049209974       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
    -0.4799111404   -0.4589754654  0.010778039297   -0.1436594919    0.2205686517   -0.6240834514 
     0.4035147997   0.00037786176 -0.012549833601  0.007868947599 
     0.2165859534       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
        0.0000000       0.0000000       0.0000000       0.0000000 
END
PROP VALUE Q1_CHARGES 108 BEGIN
     6.0624622892    7.4750986011  -10.4518166374  -13.8949649247    4.1659508552    6.5219476921 
     1.2994839162   -1.1051762598    1.6656228186   -1.9118935171    0.1662701053    2.3928221055 
     2.3928221055  -13.1516219694  -13.1516219694   10.1979242518   11.2148948038 -0.024884595449 
  -0.024884595441  0.087058958290  0.087058958291    0.1245048715    7.4750986011    6.0624622893 
   -13.8949649247  -10.4518166374    4.1659508552    6.5219476921   -1.1051762598    1.2994839162 
    -1.9118935171    1.6656228185    0.1662701053    8.6389145061    7.1243315521   -9.8196732343 
   -11.0067485355    0.9349590827    4.0829911729   -0.3388296837   -0.2655019800    1.3760921485 
    -0.7088438309    0.1589232162    7.1243315521    8.6389145060  -11.0067485355   -9.8196732343 
     0.9349590827    4.0829911729   -0.2655019800   -0.3388296837   -0.7088438309    1.3760921485 
     0.1589232162    2.9268970882    3.0955109457   -8.0839261599   -6.6803904650    3.3342329014 
     5.3714297099    0.5365901399    0.7571881355   -1.7251444358    0.4270287549    3.0955109457 
     2.9268970882   -6.6803904650   -8.0839261600    3.3342329014    5.3714297099    0.7571881355 
     0.5365901399    0.4270287549   -1.7251444358    3.4137560154    1.9455411512   -7.5401610843 
    -8.0365336263    4.6724137431    5.2214829980  0.054939005288   -0.1190953533    0.3334560038 
    -0.4257099933    0.2165859534    3.8888062005    3.8888062005   -7.0373790588   -7.0373790588 
     4.2263786514    2.0043366660   -0.5113039416   -0.5113039416    0.5043313996    0.5043313996 
     0.2049209974    1.9455411512    3.4137560154   -8.0365336263   -7.5401610843    4.6724137431 
     5.2214829980   -0.1190953533  0.054939005289   -0.4257099933    0.3334560038    0.2165859534 
END
PROP VALUE Q1_COORDS 108  3 BEGIN
     2.4873482000       0.0000000    3.5991769000    2.2873482000       0.0000000    3.5991769000 
     2.3873482000    0.1000000000    3.5991769000    2.3873482000   -0.1000000000    3.5991769000 
     2.3873482000       0.0000000    3.6991769000    2.3873482000       0.0000000    3.4991769000 
     2.3296131731 -0.057735026919    3.5414418731    2.4450832269  0.057735026919    3.5414418731 
     2.4450832269 -0.057735026919    3.6569119269    2.3296131731  0.057735026919    3.6569119269 
     3.9779208000       0.0000000    4.8993594000    0.1000000000       0.0000000    4.7136240000 
    -0.1000000000       0.0000000    4.7136240000       0.0000000    0.1000000000    4.7136240000 
        0.0000000   -0.1000000000    4.7136240000       0.0000000       0.0000000    4.8136240000 
        0.0000000       0.0000000    4.6136240000 -0.057735026919 -0.057735026919    4.6558889731 
   0.057735026919  0.057735026919    4.6558889731  0.057735026919 -0.057735026919    4.7713590269 
  -0.057735026919  0.057735026919    4.7713590269       0.0000000       0.0000000    6.7705057000 
    -2.2873482000       0.0000000    3.5991769000   -2.4873482000       0.0000000    3.5991769000 
    -2.3873482000    0.1000000000    3.5991769000   -2.3873482000   -0.1000000000    3.5991769000 
    -2.3873482000       0.0000000    3.6991769000   -2.3873482000       0.0000000    3.4991769000 
    -2.4450832269 -0.057735026919    3.5414418731   -2.3296131731  0.057735026919    3.5414418731 
    -2.3296131731 -0.057735026919    3.6569119269   -2.4450832269  0.057735026919    3.6569119269 
    -3.9779208000       0.0000000    4.8993594000   -2.9054722000       0.0000000    1.0401992000 
    -3.1054722000       0.0000000    1.0401992000   -3.0054722000    0.1000000000    1.0401992000 
    -3.0054722000   -0.1000000000    1.0401992000   -3.0054722000       0.0000000    1.1401992000 
    -3.0054722000       0.0000000    0.9401992000   -3.0632072269 -0.057735026919    0.9824641731 
    -2.9477371731  0.057735026919    0.9824641731   -2.9477371731 -0.057735026919    1.0979342269 
    -3.0632072269  0.057735026919    1.0979342269   -5.0182091000       0.0000000    0.6057828000 
     3.1054722000       0.0000000    1.0401992000    2.9054722000       0.0000000    1.0401992000 
     3.0054722000    0.1000000000    1.0401992000    3.0054722000   -0.1000000000    1.0401992000 
     3.0054722000       0.0000000    1.1401992000    3.0054722000       0.0000000    0.9401992000 
     2.9477371731 -0.057735026919    0.9824641731    3.0632072269  0.057735026919    0.9824641731 
     3.0632072269 -0.057735026919    1.0979342269    2.9477371731  0.057735026919    1.0979342269 
     5.0182091000       0.0000000    0.6057828000    1.5113540000       0.0000000   -1.0452537000 
     1.3113540000       0.0000000   -1.0452537000    1.4113540000    0.1000000000   -1.0452537000 
     1.4113540000   -0.1000000000   -1.0452537000    1.4113540000       0.0000000   -0.9452537000 
     1.4113540000       0.0000000   -1.1452537000    1.3536189731 -0.057735026919   -1.1029887269 
     1.4690890269  0.057735026919   -1.1029887269    1.4690890269 -0.057735026919   -0.9875186731 
     1.3536189731  0.057735026919   -0.9875186731   -1.3113540000       0.0000000   -1.0452537000 
    -1.5113540000       0.0000000   -1.0452537000   -1.4113540000    0.1000000000   -1.0452537000 
    -1.4113540000   -0.1000000000   -1.0452537000   -1.4113540000       0.0000000   -0.9452537000 
    -1.4113540000       0.0000000   -1.1452537000   -1.4690890269 -0.057735026919   -1.1029887269 
    -1.3536189731  0.057735026919   -1.1029887269   -1.3536189731 -0.057735026919   -0.9875186731 
    -1.4690890269  0.057735026919   -0.9875186731   -2.0675574000       0.0000000   -3.5823573000 
    -2.2675574000       0.0000000   -3.5823573000   -2.1675574000    0.1000000000   -3.5823573000 
    -2.1675574000   -0.1000000000   -3.5823573000   -2.1675574000       0.0000000   -3.4823573000 
    -2.1675574000       0.0000000   -3.6823573000   -2.2252924269 -0.057735026919   -3.6400923269 
    -2.1098223731  0.057735026919   -3.6400923269   -2.1098223731 -0.057735026919   -3.5246222731 
    -2.2252924269  0.057735026919   -3.5246222731   -4.1072194000       0.0000000   -4.2359642000 
     0.1000000000       0.0000000   -5.0975270000   -0.1000000000       0.0000000   -5.0975270000 
        0.0000000    0.1000000000   -5.0975270000       0.0000000   -0.1000000000   -5.0975270000 
        0.0000000       0.0000000   -4.9975270000       0.0000000       0.0000000   -5.1975270000 
  -0.057735026919 -0.057735026919   -5.1552620269  0.057735026919  0.057735026919   -5.1552620269 
   0.057735026919 -0.057735026919   -5.0397919731 -0.057735026919  0.057735026919   -5.0397919731 
        0.0000000       0.0000000   -7.1466249000    2.2675574000       0.0000000   -3.5823573000 
     2.0675574000       0.0000000   -3.5823573000    2.1675574000    0.1000000000   -3.5823573000 
     2.1675574000   -0.1000000000   -3.5823573000    2.1675574000       0.0000000   -3.4823573000 
     2.1675574000       0.0000000   -3.6823573000    2.1098223731 -0.057735026919   -3.6400923269 
     2.2252924269  0.057735026919   -3.6400923269    2.2252924269 -0.057735026919   -3.5246222731 
     2.1098223731  0.057735026919   -3.5246222731    4.1072194000       0.0000000   -4.2359642000 
END
PROP VALUE Q1_LINDEPS =       54.00000000 
PROP VALUE Q1_POINTS =       108.0000000 
PROP VALUE Q1_PRMS =       1.822976719 
PROP VALUE Q1_RMS =       1.801989535 
PROP VALUE QC0_TIME 1  2 BEGIN
    12.4600000000    6.6742289066 
END
PROP VALUE QC2_TIME 1  2 BEGIN
   102.4900000000   55.3785760403 
END
PROP STRING QCBUILDTAG = "Mar 16 2021"
PROP VALUE QC_ENERGY_LIST 2 BEGIN
  -383.2815082274 -383.2815084474 
END
PROP VALUE QM_DIPOLE 3 BEGIN
    -1.377130E-10   7.3549907E-15    1.5143156647 
END
PROP VALUE QM_OCTPOLE 10 BEGIN
    6.5913366E-10   -1.482021E-15   18.9285367448   -8.203328E-14    1.4703685892   -3.830139E-10 
    1.0790987E-13   -2.761198E-10  -20.3989053339   8.3515297E-14 
END
PROP VALUE QM_QUADPOLE 6 BEGIN
    15.6832365482  -27.1836044108   11.5003678626   4.6235820E-15   -1.219857E-09   -5.843072E-14 
END
PROP VALUE Q_MINUS_MUL =     -0.2574197897 
PROP VALUE Q_MINUS_NAO =     -0.2912715717 
PROP VALUE Q_PLUS_MUL =      0.2131744132 
PROP VALUE Q_PLUS_NAO =      0.2329342783 
PROP VALUE SCF0_TIME 1  2 BEGIN
     1.8684490000    0.9545280933 
END
PROP VALUE SCF_CTIME =       1.868449000 
PROP VALUE SCF_ITERS =       2.000000000 
PROP VALUE SCF_WTIME =      0.9545280933 
PROP VALUE SYM_ORD =       2.000000000 
PROP STRING SYM_STRING = "C2v"
PROP VALUE TOTAL_MASS =       128.0626000 
PROP VALUE TOT_ELECTRONEG =     0.09803954437 
PROP VALUE TOT_HARDNESS =      0.1550186661 
PROP VALUE UVVIS_ABSORBANCE 6 BEGIN
    18405.0762497    3967.6171845  319774.8030486    3012365.9627  762154.6070286  230666.5979219 
END
PROP VALUE UVVIS_INTENSITY 6 BEGIN
   0.007949152273  0.001713613828    0.1381107347    1.3010408332    0.3291745682  0.099624901642 
END
PROP VALUE UVVIS_KIND =       3.000000000 
PROP VALUE UVVIS_LAMBDAMAX =       222.4769720 
PROP VALUE UVVIS_LAMBDAMAX_EV =       5.572878059 
PROP VALUE UVVIS_LAMBDAMAX_N =       4.000000000 
PROP VALUE UVVIS_LOGABSORBANCE 6 BEGIN
     4.2649376210    3.5985297626    5.5048442401    6.4789077318    5.8820430792    5.3629847103 
END
PROP VALUE UVVIS_S2 6 BEGIN
        0.0000000       0.0000000       0.0000000       0.0000000       0.0000000       0.0000000 
END
PROP VALUE UVVIS_TRANSITIONS 6  16 BEGIN
    34.0000000000    1.0000000000    0.9763650162    1070.0000000   33.0000000000    2.0000000000 
    -0.2549123518    1070.0000000   33.0000000000    2.0000000000   -0.1710539291    2070.0000000 
    34.0000000000    1.0000000000  0.065602996631    2070.0000000 
    34.0000000000    2.0000000000    0.7132895788    1070.0000000   33.0000000000    1.0000000000 
     0.6945610109    1070.0000000   33.0000000000    1.0000000000  0.095967304873    2070.0000000 
    34.0000000000    2.0000000000  0.091073196736    2070.0000000 
    33.0000000000    2.0000000000    0.9347157573    1070.0000000   32.0000000000    1.0000000000 
    -0.2618519974    1070.0000000   34.0000000000    1.0000000000    0.2369486373    1070.0000000 
    34.0000000000    1.0000000000   -0.1595244321    2070.0000000 
    33.0000000000    1.0000000000    0.7061796841    1070.0000000   34.0000000000    2.0000000000 
    -0.6961357638    1070.0000000   34.0000000000    2.0000000000    0.1189069242    2070.0000000 
    33.0000000000    1.0000000000   -0.1132658530    2070.0000000 
    32.0000000000    1.0000000000    0.9320206992    1070.0000000   33.0000000000    2.0000000000 
     0.2456207766    1070.0000000   34.0000000000    5.0000000000    0.1745714325    1070.0000000 
    31.0000000000    2.0000000000   -0.1402200268    1070.0000000 
    32.0000000000    2.0000000000    0.8439622856    1070.0000000   31.0000000000    1.0000000000 
     0.4572630704    1070.0000000   33.0000000000    1.0000000000   -0.1476078892    1070.0000000 
    33.0000000000    5.0000000000    0.1367225328    1070.0000000 
END
PROP VALUE UVVIS_WAVELENGTH 6 BEGIN
   469.5908449436  330.3572200053  235.7661225668  222.4769720271  176.8667020727  161.2107308681 
END
PROP VALUE WEIGHT =       128.1740000 
PROP VALUE WEIGHT_ISO =       128.0626000 
PROP VALUE setTime 1  2 BEGIN
   100.3900000000   54.1766121387 
END
PROP VALUE TOTAL_WALL_TIME =        1.3888
