External AB INITIO PROGRAM: converted archive file
Jobname.Temp
  21 211  68 175   0   1 211   0 RWB97X-D 6-31G(d)           NOOPT FREQ        
GEOMETRY
  1     4.9627142    -2.9728177     0.6509221
  6     4.1454208    -1.1268144     0.3105038
  6     2.0253550     3.5906475    -0.5705328
  6     1.5545274    -0.9552800    -0.1933160
  6     5.6595625     1.0133224     0.3692737
  6     4.5949936     3.3771025    -0.0775483
  6     0.5172243     1.4452133    -0.6255772
  1     7.6640717     0.8363559     0.7610601
  1     5.7637065     5.0627204    -0.0365904
  1     1.1484550     5.4103217    -0.9155957
  6    -0.0238941    -3.2781711    -0.2950579
  8    -2.2583869    -3.3848021    -0.7774433
  8     1.3221625    -5.3845499     0.1982032
  1     0.1277380    -6.7703785     0.0873834
  6    -3.7492841     1.4129406     0.6121021
  8    -3.2028965     1.1918712     2.8011939
  8    -1.9868570     1.7680163    -1.2527732
  6    -6.3487143     1.3535109    -0.5131265
  1    -7.7528955     1.5548225     0.9797936
  1    -6.5817849    -0.4757281    -1.4483784
  1    -6.5753288     2.8355886    -1.9323650
BASIS
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   2.6695613886D-01   2.7743193731D-01   0.0000000000D+00   0.0000000000D+00
   8.0000000000D-01
   0.0000000000D+00   0.0000000000D+00   1.1138249281D+00   0.0000000000D+00
   5.4846717000D+03
   8.3173520885D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   8.2523495000D+02
   1.5308074829D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.8804696000D+02
   2.4771490916D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   5.2964500000D+01
   3.2562802462D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.6897570000D+01
   2.7928936336D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   5.7996353000D+00
   9.5493769626D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.5539616000D+01
  -6.1793369763D-01   3.1169455889D+00   0.0000000000D+00   0.0000000000D+00
   3.5999336000D+00
  -2.7572100882D-01   2.4014372483D+00   0.0000000000D+00   0.0000000000D+00
   1.0137618000D+00
   8.1420764273D-01   1.0543605133D+00   0.0000000000D+00   0.0000000000D+00
   2.7000580000D-01
   2.6695613886D-01   2.7743193731D-01   0.0000000000D+00   0.0000000000D+00
   8.0000000000D-01
   0.0000000000D+00   0.0000000000D+00   1.1138249281D+00   0.0000000000D+00
   3.0475249000D+03
   5.3633438234D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   4.5736951000D+02
   9.8945060758D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.0394869000D+02
   1.5972822308D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   2.9210155000D+01
   2.0791870615D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   9.2866630000D+00
   1.7741742532D+00   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   3.1639270000D+00
   6.1257982601D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   7.8682724000D+00
  -3.9955635160D-01   1.2960827175D+00   0.0000000000D+00   0.0000000000D+00
   1.8812885000D+00
  -1.8415523929D-01   9.9375362822D-01   0.0000000000D+00   0.0000000000D+00
   5.4424930000D-01
   5.1639037938D-01   4.9595271376D-01   0.0000000000D+00   0.0000000000D+00
   1.6871440000D-01
   1.8761787212D-01   1.5412755095D-01   0.0000000000D+00   0.0000000000D+00
   8.0000000000D-01
   0.0000000000D+00   0.0000000000D+00   1.1138249281D+00   0.0000000000D+00
   1.8731137000D+01
   2.1493541833D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   2.8253937000D+00
   3.6457112721D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   6.4012170000D-01
   4.1505142766D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.6127780000D-01
   1.8138068393D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.8731137000D+01
   2.1493541833D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   2.8253937000D+00
   3.6457112721D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   6.4012170000D-01
   4.1505142766D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.6127780000D-01
   1.8138068393D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.8731137000D+01
   2.1493541833D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   2.8253937000D+00
   3.6457112721D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   6.4012170000D-01
   4.1505142766D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
   1.6127780000D-01
   1.8138068393D-01   0.0000000000D+00   0.0000000000D+00   0.0000000000D+00
ENERGY
  -6.4848852877D+02   0.0000000000D+00
WAVEFUNC   6-31G(d)   QCHEM 
  -1.9325686856D+01  -1.9320808966D+01  -1.9265927593D+01  -1.9256736305D+01
  -1.0444161244D+01  -1.0432104821D+01  -1.0380190995D+01  -1.0329001757D+01
  -1.0322740920D+01  -1.0321154398D+01  -1.0314614021D+01  -1.0314150439D+01
  -1.0299687064D+01  -1.2209258620D+00  -1.2130552043D+00  -1.1247796921D+00
  -1.1202290112D+00  -9.7522278470D-01  -8.8183347524D-01  -8.7635582036D-01
  -8.3549213210D-01  -7.6920152792D-01  -7.2869924525D-01  -7.1537053297D-01
  -6.5915230446D-01  -6.2013365601D-01  -5.8632858637D-01  -5.7944685134D-01
  -5.7570482726D-01  -5.7410143119D-01  -5.5628346843D-01  -5.4573888386D-01
  -5.3674053646D-01  -5.2796383149D-01  -4.9448570997D-01  -4.9269826207D-01
  -4.8532756896D-01  -4.7140754088D-01  -4.6174159329D-01  -4.5126625460D-01
  -4.4409067273D-01  -4.1117477985D-01  -3.9494346306D-01  -3.6260438843D-01
  -3.5708916702D-01  -3.4424653565D-01  -3.3001125970D-01   1.5577161632D-02
   5.8888652449D-02   9.6608835320D-02   1.3301707085D-01   1.5942047396D-01
   1.7803249701D-01   2.0767480855D-01   2.2424943787D-01   2.3484428123D-01
   2.4781293134D-01   2.5142225334D-01   2.6212947576D-01   2.6986138566D-01
   2.8271942920D-01   3.1721670950D-01   3.3207654379D-01   3.3451705392D-01
   3.5229351194D-01   3.9426366368D-01   4.0350136073D-01   4.1411488831D-01
   4.3212353827D-01   4.5988690142D-01   4.7352010003D-01   5.7469197250D-01
   5.8560939471D-01   5.9880637771D-01   6.1551376181D-01   6.2362155814D-01
   6.3182278111D-01   6.3501284642D-01   6.4873048001D-01   6.6152274885D-01
   6.7204473149D-01   6.7341564016D-01   6.8455657675D-01   6.8747763327D-01
   6.9215093384D-01   7.0619122039D-01   7.1850330676D-01   7.4445789779D-01
   7.5671049388D-01   7.7116304985D-01   7.7353219042D-01   8.0700463797D-01
   8.3142021711D-01   8.5060849920D-01   8.7485589730D-01   8.9977686233D-01
   9.0680035145D-01   9.1466871909D-01   9.2178654678D-01   9.3021556376D-01
   9.4275121342D-01   9.6511098570D-01   9.6970862631D-01   9.7807212545D-01
   9.9928012871D-01   1.0086002246D+00   1.0196424796D+00   1.0363750313D+00
   1.0435576017D+00   1.0652159788D+00   1.0870705228D+00   1.0960344574D+00
   1.1122045427D+00   1.1319323105D+00   1.1569627150D+00   1.1724103298D+00
   1.1882907484D+00   1.2182898457D+00   1.2381999475D+00   1.2630221270D+00
   1.2994545671D+00   1.3097523441D+00   1.3482956863D+00   1.3849891234D+00
   1.4096689964D+00   1.4142902894D+00   1.4498357670D+00   1.4664107162D+00
   1.4822815316D+00   1.5085252053D+00   1.5122850762D+00   1.5396069859D+00
   1.5494381730D+00   1.5656053105D+00   1.5708869240D+00   1.5989526460D+00
   1.6114675319D+00   1.6620939059D+00   1.7366200843D+00   1.7559601158D+00
   1.7690568606D+00   1.7987222208D+00   1.8336027297D+00   1.8419972052D+00
   1.8712212325D+00   1.8758917135D+00   1.9088531960D+00   1.9223761436D+00
   1.9374441703D+00   1.9476612863D+00   1.9611103907D+00   1.9753649119D+00
   2.0018282218D+00   2.0262246315D+00   2.0458009413D+00   2.0601976931D+00
   2.0655762024D+00   2.0826025282D+00   2.1111611135D+00   2.1450104320D+00
   2.1666037018D+00   2.1918524350D+00   2.1991524130D+00   2.2210773768D+00
   2.2335841473D+00   2.2857467761D+00   2.2926839099D+00   2.3255831482D+00
   2.3558425071D+00   2.3571433433D+00   2.3787553272D+00   2.4181348533D+00
   2.4424848747D+00   2.4762810069D+00   2.5031384958D+00   2.5395704144D+00
   2.5746381388D+00   2.5963765374D+00   2.6724194209D+00   2.6914904870D+00
   2.7058489062D+00   2.7279515333D+00   2.7512151871D+00   2.7806811944D+00
   2.7854495413D+00   2.8140525060D+00   2.8480426443D+00   2.8715611772D+00
   2.9239115471D+00   2.9366467746D+00   2.9954662638D+00   3.0729680728D+00
   3.1051322286D+00   3.1811535506D+00   3.1918976421D+00   3.2241282273D+00
   3.3474552067D+00   3.5318030711D+00   3.9698976010D+00   4.1779522021D+00
   4.1845638288D+00   4.1940742597D+00   4.2222688921D+00   4.2807803137D+00
   4.3239153861D+00   4.4122734619D+00   4.4909350151D+00   4.5280563269D+00
   4.5937048578D+00   4.7588412069D+00   4.8789634954D+00
   1.4710586059D-04  -6.8980568965D-04   9.9433865016D-07   2.8619059871D-05
  -5.5094509277D-05  -3.1405285940D-05  -4.2719223658D-06  -4.2332257073D-04
   2.3304793989D-03   7.9395119863D-04   3.4248209052D-04  -9.3858523635D-05
   4.6221090053D-05   1.2738059976D-05   4.1756008081D-05  -2.7752439924D-05
   4.1860164984D-06   8.0720996335D-06   5.0431041625D-05   6.6617729881D-06
   1.3004135520D-05   1.1113624023D-06  -8.2045666825D-04  -3.4376923735D-04
   2.9199091491D-04  -1.0359902846D-04  -1.2113654964D-05  -5.6218498453D-06
   1.4050405336D-05  -5.6997294247D-06  -4.7889541718D-06   3.0082775555D-06
  -2.3919542162D-05  -4.7221773949D-05  -2.1992311601D-05   3.6756613723D-05
  -1.0907020196D-05   2.2729960213D-03   1.7364984287D-03  -1.9995547982D-03
   5.3111760856D-04   2.3123293844D-05  -1.2602866753D-04  -4.8169064480D-05
   1.4756547734D-05   1.2260914747D-05   1.1496888139D-05   1.4079515143D-05
   7.7277317672D-05   2.2541772772D-05  -1.0514062879D-05   5.2300917553D-06
  -1.3870916813D-03   1.7212051185D-04   1.1899420020D-03  -8.9713043766D-05
   1.1189617722D-05  -2.4740251219D-05   3.2880895522D-05  -2.6887035537D-05
  -2.3887202994D-06   1.3752676174D-06  -6.1683982499D-06  -3.0874535088D-05
   5.8260474164D-06   1.8524501350D-05  -6.7959318591D-07   9.9911701999D-05
  -6.2716022795D-04  -3.3802609375D-05  -1.1080793896D-04   9.2396973381D-06
  -1.1965846571D-05  -1.1654903563D-05   3.8315561582D-06   3.3964767977D-06
   1.0684059819D-06  -6.7236884167D-08  -3.1281500028D-05  -1.5732092056D-06
  -6.2649771913D-05   7.9087444247D-07   1.4164108341D-03   4.9056039624D-04
  -3.8388173909D-04   1.5403676849D-04   2.1018877077D-05   4.3179359482D-05
   1.0342998212D-05  -4.1875225671D-06   6.2084356312D-08  -5.9283384549D-06
   5.4340637641D-05   9.3490136324D-05   3.7786667511D-05   1.2404652387D-04
  -3.5949548076D-06  -9.2880258553D-05   1.6729263667D-05   4.6640483382D-04
   1.4950854971D-04  -2.9582315501D-04   5.6216247608D-05  -2.4433274049D-03
  -2.9282990924D-03   1.1905722954D-03  -7.3152117128D-04   1.0505177127D-05
   1.7079885876D-08  -5.7458792961D-06  -3.7179001376D-06   7.7479896189D-06
  -1.1683127970D-06  -6.2584372923D-05   2.6131123943D-04  -7.6042180692D-06
   4.4294698468D-05  -1.0498771849D-05  -1.7765279351D-03  -3.8520490928D-04
  -2.3100747134D-04  -5.2805167295D-05   6.3977086611D-05   1.1595903162D-04
   1.2251654225D-04   3.8978135483D-05  -2.0523969891D-05   1.4283249939D-05
   9.9287306768D-01   2.5331132943D-02  -1.0451767171D-03  -6.4597463349D-05
  -2.1549658087D-04   1.2675760280D-02   6.3979028599D-05   1.1359198375D-03
  -1.0552094659D-04  -7.8929901703D-03  -7.7887974285D-03  -7.8157099922D-03
  -3.1311495604D-05  -1.6576570938D-05  -1.0903968914D-05   4.8820640005D-04
  -9.0432703591D-04   6.2865900962D-06   2.2665075605D-05   7.6956164057D-06
  -1.6199472198D-05  -3.0787195527D-06  -1.7917970519D-04  -7.2854383254D-05
   7.2345350647D-05  -7.2609235760D-05   1.2868156606D-05   1.0716258767D-05
   6.3994163334D-06   8.2829513905D-07   5.9211765309D-07   1.2541107766D-06
  -4.7106898258D-06  -1.7795910392D-05   2.4056968926D-07  -8.4274957740D-06
   3.0064333747D-07   1.4216619183D-04   2.1707814134D-06   1.7439495964D-05
  -4.5741641407D-05  -4.8183257972D-07  -1.0373809943D-05  -1.8220067992D-06
   4.2368249213D-06  -4.3344747498D-06  -2.3080716698D-06  -3.6019884584D-05
  -1.9818340593D-06  -3.5493884829D-06  -1.1932157144D-05  -1.8027818743D-06
   9.6134711711D-05   3.2018467884D-05   2.7873052756D-05   2.8493043999D-05
   8.5153837181D-07   4.9764813015D-07   1.9428893050D-05  -5.2551201181D-06
  -6.1239240547D-07  -3.5443357296D-06  -2.3508298007D-06  -8.0964519320D-06
  -2.2348395490D-06   4.5152810815D-06  -1.6844200551D-07   2.9640346857D-05
   2.0992481331D-06  -4.8175896898D-05   6.6102367340D-06  -5.2092040753D-06
  -4.0178341271D-06  -3.8843396021D-06  -4.7725300290D-06   9.0460368143D-07
   1.0112063612D-06  -2.8998534392D-06  -1.6900003902D-06  -3.7284295549D-06
  -3.5375762604D-05   1.3288706266D-06   1.0826024635D-05
   2.6207869330D-05   2.0230618544D-04  -2.4922965928D-06  -2.6495560685D-05
  -5.0839388772D-05   1.3397476936D-05  -7.4530852822D-06   1.3156695240D-03
  -3.5379649777D-04   7.5864227237D-04  -1.1871430824D-04   3.2585527773D-05
   1.7300083981D-06   3.3771032564D-06  -9.8341031531D-06   1.5192565269D-06
  -2.1826961628D-06   1.3891309986D-05   1.7506133014D-04   5.8436850690D-06
   1.2979059013D-05  -5.6542973853D-06  -1.4998032959D-03  -3.4624685798D-04
   1.3403096861D-03  -2.5515268478D-04  -7.1233992691D-05  -8.4890184390D-05
   2.2259500831D-05  -3.5823238026D-05  -2.0913894410D-05   2.1663287145D-05
   1.2400635387D-05   1.4524829942D-04   3.8000827272D-05   4.0320225249D-05
   1.1073560210D-05  -1.4790979587D-03  -1.2757068847D-03  -2.1566018582D-03
  -1.4101895786D-04  -5.2792933838D-05  -7.3455693779D-05   2.2312541370D-05
   3.3746709343D-05  -2.1265579805D-05   4.5366028793D-06   1.0809887990D-05
   6.1592314621D-05  -6.7754448645D-06   1.1145857604D-05   1.4437784261D-06
  -1.0415115829D-03   5.4356793445D-04  -9.7984373577D-05   9.7800713134D-05
   7.2841088266D-06  -1.9539176451D-05   2.3720284406D-05  -1.5573111917D-06
  -2.3980493700D-06   6.1220559992D-06   3.7128351847D-06   2.5660953187D-06
  -4.8390800679D-05  -2.1420976896D-06  -3.6732971866D-06   9.1026224020D-04
  -1.4953768561D-04  -4.7702322846D-04   2.7204641237D-05   2.5546874464D-05
   1.4352956165D-05   1.8656038268D-05  -2.0594348289D-05   1.5172037811D-06
  -1.4269585304D-06  -3.6944160809D-05   9.7653757960D-05  -4.5484533432D-04
   6.0954461881D-05  -1.5270530602D-04   8.1571348106D-04   3.5624112619D-03
  -4.5588207581D-04   9.4674700876D-04   1.1517226917D-04   2.7831104632D-05
  -4.2392055063D-05  -3.8062344895D-05   7.6002467494D-05  -2.9784280030D-05
  -1.0163204040D-05  -1.3277390568D-04   1.7745144871D-05   6.8911821020D-05
  -1.2203364362D-06  -5.2799163782D-04   2.0809339227D-05   6.2355488858D-05
  -3.7103151501D-05  -1.6303479684D-05  -1.1682081517D-05  -1.0848524421D-03
  -5.3542619723D-04  -6.4374346774D-04  -1.2914514440D-05   1.7659826666D-05
   5.5080075210D-05   4.4687180303D-05  -5.3836352602D-05   1.3013721728D-06
  -1.0991520075D-05   8.9291751747D-06   1.2301103923D-04   1.5091095604D-05
   3.5011221088D-05  -8.6635314303D-07  -5.7120021179D-04  -1.1464672674D-04
  -1.9169689220D-05  -3.1162173364D-05   1.0185911433D-04   8.7069298944D-05
   1.3548196166D-04  -1.1436333432D-05  -9.5439810474D-06   7.2486101535D-06
   4.5171361061D-05   3.7999619900D-05  -2.2300851442D-08   9.7350232336D-06
   4.9087216245D-07  -1.2048603675D-04   6.5575541486D-05  -7.4920883606D-05
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END_GEOMETRY2
HESSIAN 6-31G(d)
  63
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GEOMETRY2
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  6        4.14542075760000       -1.12681441292000        0.31050382659400
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  1       -7.75289548334000        1.55482245591000        0.97979356243700
  1       -6.58178489194000       -0.47572811189200       -1.44837844002000
  1       -6.57532882801000        2.83558858106000       -1.93236496117000
