12 MOPAC-Graphical data Version 2012.15.188W 6 1.3939933 0.0000000 0.0000000 -0.1481 6 0.6969967 1.2072336 0.0000000 -0.1481 6 -0.6969967 1.2072336 0.0000000 -0.1481 6 -1.3939933 0.0000000 0.0000000 -0.1481 6 -0.6969967 -1.2072336 0.0000000 -0.1481 6 0.6969967 -1.2072336 0.0000000 -0.1481 1 2.4818607 0.0000000 0.0000000 0.1481 1 1.2409304 2.1493544 0.0000000 0.1481 1 -1.2409304 2.1493544 0.0000000 0.1481 1 -2.4818607 0.0000000 0.0000000 0.1481 1 -1.2409304 -2.1493544 0.0000000 0.1481 1 1.2409304 -2.1493544 0.0000000 0.1481 1.9422440 1.7087230 0.0000000 1.9422440 1.7087230 0.0000000 1.9422440 1.7087230 0.0000000 1.9422440 1.7087230 0.0000000 1.9422440 1.7087230 0.0000000 1.9422440 1.7087230 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 ORBITAL 2 1a1g -30.4404 0.36852428D+00-0.13904532D+00-0.93075100D-08 0.25725102D-15 0.36852428D+00 -0.69522649D-01-0.12041678D+00 0.69765251D-16 0.36852428D+00 0.69522666D-01 -0.12041677D+00 0.28560982D-16 0.36852428D+00 0.13904532D+00 0.93075093D-08 0.54350672D-16 0.36852428D+00 0.69522649D-01 0.12041678D+00-0.60715322D-16 0.36852428D+00-0.69522666D-01 0.12041677D+00 0.00000000D+00 0.10734486D+00 0.10734486D+00 0.10734486D+00 0.10734486D+00 0.10734486D+00 0.10734486D+00 ORBITAL 2 1e1u -25.8270 -0.47927204D+00-0.11664989D-02 0.95434545D-06-0.17096090D-15-0.23963434D+00 -0.17505775D+00 0.10039617D+00-0.51205591D-16 0.23963770D+00-0.17505693D+00 -0.10039568D+00-0.57886441D-16 0.47927204D+00-0.11664989D-02 0.95434545D-06 -0.15277513D-15 0.23963434D+00-0.17505775D+00 0.10039617D+00-0.74159429D-16 -0.23963770D+00-0.17505693D+00-0.10039568D+00-0.27755576D-16-0.22210700D+00 -0.11105272D+00 0.11105428D+00 0.22210700D+00 0.11105272D+00-0.11105428D+00 ORBITAL 2 1e1u -25.8270 0.19432375D-05 0.85350522D-08 0.23302096D+00 0.78613497D-16 0.41506273D+00 -0.10039521D+00 0.59129704D-01 0.71602714D-17 0.41506079D+00 0.10039664D+00 0.59130523D-01 0.71326813D-16-0.19432375D-05 0.85350521D-08 0.23302096D+00 0.92447740D-16-0.41506273D+00-0.10039521D+00 0.59129704D-01 0.17824284D-15 -0.41506079D+00 0.10039664D+00 0.59130523D-01-0.55511151D-16 0.90418410D-06 0.19235076D+00 0.19234985D+00-0.90418410D-06-0.19235076D+00-0.19234985D+00 ORBITAL 2 1e2g -20.9132 -0.98708283D-08-0.56478155D-08-0.35451409D+00-0.58971874D-16-0.30576417D+00 -0.21630013D+00-0.20128698D-01 0.84810465D-16 0.30576418D+00-0.21630011D+00 0.20128715D-01-0.79804199D-17-0.98708287D-08 0.56478157D-08 0.35451409D+00 -0.24008888D-16-0.30576417D+00 0.21630013D+00 0.20128698D-01 0.19428903D-15 0.30576418D+00 0.21630011D+00-0.20128715D-01 0.16653345D-15-0.14335066D-07 -0.21558580D+00 0.21558582D+00-0.14335067D-07-0.21558580D+00 0.21558582D+00 ORBITAL 2 1e2g -20.9132 0.35306606D+00 0.14500964D+00-0.13900986D-07-0.58929041D-16-0.17653304D+00 0.22963315D+00-0.21630012D+00-0.14928699D-16-0.17653302D+00-0.22963316D+00 -0.21630012D+00 0.35599797D-16 0.35306606D+00-0.14500964D+00 0.13900983D-07 -0.10120600D-16-0.17653304D+00-0.22963315D+00 0.21630012D+00 0.65919492D-16 -0.17653302D+00 0.22963316D+00 0.21630012D+00-0.11102230D-15 0.24893705D+00 -0.12446854D+00-0.12446851D+00 0.24893705D+00-0.12446854D+00-0.12446851D+00 ORBITAL 2 2a1g -18.0716 -0.56292623D-01-0.32980252D+00-0.34312672D-07-0.49888155D-15-0.56292623D-01 -0.16490123D+00-0.28561738D+00-0.19389429D-15-0.56292623D-01 0.16490129D+00 -0.28561735D+00-0.18268062D-15-0.56292623D-01 0.32980252D+00 0.34312674D-07 -0.28384084D-15-0.56292623D-01 0.16490123D+00 0.28561738D+00-0.24980018D-15 -0.56292623D-01-0.16490129D+00 0.28561735D+00-0.90205621D-16-0.23394038D+00 -0.23394038D+00-0.23394038D+00-0.23394038D+00-0.23394038D+00-0.23394038D+00 ORBITAL 2 1b2u -15.3932 0.20649487D+00 0.22780100D+00-0.41015288D-07 0.44023012D-15-0.20649487D+00 -0.11390053D+00-0.19728143D+00 0.36664038D-15 0.20649487D+00-0.11390046D+00 0.19728147D+00 0.17957932D-16-0.20649487D+00 0.22780100D+00-0.41015285D-07 0.25848593D-15 0.20649487D+00-0.11390053D+00-0.19728143D+00-0.33306691D-15 -0.20649487D+00-0.11390046D+00 0.19728147D+00 0.44408921D-15 0.26857632D+00 -0.26857632D+00 0.26857632D+00-0.26857632D+00 0.26857632D+00-0.26857632D+00 ORBITAL 2 1b1u -15.2219 0.10401280D-07 0.26356919D-07 0.40824829D+00 0.29700929D-15-0.10774168D-07 0.35355338D+00-0.20412417D+00 0.13720319D-15 0.10028389D-07-0.35355340D+00 -0.20412412D+00 0.98185196D-16-0.10401279D-07 0.26356916D-07 0.40824829D+00 0.36735794D-16 0.10774168D-07 0.35355338D+00-0.20412417D+00-0.13610561D-15 -0.10028390D-07-0.35355340D+00-0.20412412D+00 0.63817256D-16 0.31992686D-07 -0.31129848D-07 0.32855524D-07-0.31992683D-07 0.31129847D-07-0.32855525D-07 ORBITAL 2 2e1u -14.2589 -0.74734820D-01 0.46971629D+00-0.44335187D-06-0.14707928D-14-0.37367690D-01 0.17325478D-01 0.26118981D+00-0.19596090D-14 0.37367131D-01 0.17323486D-01 -0.26118725D+00-0.20828635D-14 0.74734820D-01 0.46971629D+00-0.44335187D-06 -0.13637891D-14 0.37367690D-01 0.17325478D-01 0.26118981D+00-0.13322676D-14 -0.37367131D-01 0.17323486D-01-0.26118725D+00-0.24980018D-14 0.29883049D+00 0.14941623D+00-0.14941425D+00-0.29883049D+00-0.14941623D+00 0.14941425D+00 ORBITAL 2 2e1u -14.2589 0.32246989D-06-0.18574425D-05-0.13347279D+00-0.85661816D-15-0.64722092D-01 0.26118840D+00 0.31891803D+00-0.15440881D-14-0.64722415D-01-0.26118866D+00 0.31892002D+00-0.20593901D-14-0.32246989D-06-0.18574425D-05-0.13347279D+00 -0.15624702D-14 0.64722092D-01 0.26118840D+00 0.31891803D+00-0.10547119D-14 0.64722415D-01-0.26118866D+00 0.31892002D+00-0.83266727D-15-0.11440171D-05 0.25879422D+00 0.25879537D+00 0.11440171D-05-0.25879422D+00-0.25879537D+00 ORBITAL 2 1a2u -13.4266 0.69388939D-15 0.15473733D-14-0.17486013D-14 0.40824829D+00 0.44408921D-15 0.56898930D-15 0.18179902D-14 0.40824829D+00 0.49960036D-15-0.14988011D-14 -0.27755576D-16 0.40824829D+00 0.87430063D-15 0.73205331D-15-0.22343238D-14 0.40824829D+00 0.15684123D-15-0.45137302D-15 0.17074882D-14 0.40824829D+00 0.45262794D-15-0.28992224D-14-0.29516587D-14 0.40824829D+00 0.80158405D-15 0.27627151D-15-0.76763125D-15-0.25463670D-14-0.43688412D-14-0.13812771D-14 ORBITAL 2 2e2g -11.9384 0.13710508D-01 0.34112573D+00 0.77144258D-06 0.21372184D-15-0.68553087D-02 -0.35549030D+00 0.82927068D-02-0.49520279D-15-0.68551987D-02 0.35549037D+00 0.82941165D-02-0.97499141D-15 0.13710508D-01-0.34112573D+00-0.77144258D-06 -0.13209796D-14-0.68553087D-02 0.35549030D+00-0.82927068D-02 0.69388939D-17 -0.68551987D-02-0.35549037D+00-0.82941165D-02 0.22204460D-15 0.29492028D+00 -0.14746067D+00-0.14745960D+00 0.29492028D+00-0.14746067D+00-0.14745960D+00 ORBITAL 2 2e2g -11.9384 0.63462448D-07 0.68262137D-06-0.36027854D+00 0.10752268D-14 0.11873616D-01 -0.82941609D-02 0.34591397D+00 0.12852369D-14-0.11873680D-01-0.82926624D-02 -0.34591389D+00 0.15251340D-14 0.63462450D-07-0.68262137D-06 0.36027854D+00 0.49568849D-15 0.11873616D-01 0.82941609D-02-0.34591397D+00-0.79103391D-15 -0.11873680D-01 0.82926624D-02 0.34591389D+00 0.44408921D-15 0.61612191D-06 0.25540814D+00-0.25540876D+00 0.61612191D-06 0.25540814D+00-0.25540876D+00 ORBITAL 2 1e1g -9.8242 0.41633363D-16-0.83266727D-16 0.26367797D-15-0.57735027D+00-0.17780916D-15 -0.41633363D-15-0.41633363D-16-0.28867657D+00 0.36385825D-15 0.13877788D-15 0.16653345D-15 0.28867370D+00 0.63317407D-16-0.13045121D-14 0.13877788D-16 0.57735027D+00-0.15774887D-16 0.23356570D-15-0.87464089D-15 0.28867657D+00 0.31761016D-15-0.80854438D-15 0.96264852D-15-0.28867370D+00 0.79574125D-15 0.32916083D-15-0.25669340D-15-0.57405256D-15-0.41452452D-15-0.30925615D-15 ORBITAL 2 1e1g -9.8242 -0.33306691D-15 0.71470607D-15 0.13461454D-14-0.16585892D-05-0.33306691D-15 0.49960036D-15 0.49960036D-15 0.49999917D+00 0.33306691D-15 0.10824674D-14 0.21371793D-14 0.50000083D+00 0.38857806D-15 0.38163916D-16 0.69388939D-16 0.16585893D-05 0.23826070D-15 0.13477824D-14 0.15423291D-14-0.49999917D+00 -0.21958695D-15 0.55619974D-15 0.79403153D-15-0.50000083D+00-0.42492509D-15 -0.13603016D-14-0.36326125D-15 0.51969701D-15 0.18927958D-15 0.73373132D-15 ORBITAL 0 1e2u 0.2361 0.27755576D-16 0.83266727D-16 0.49960036D-15-0.17063480D-05 0.16479873D-16 0.22204460D-15 0.49960036D-15 0.50000085D+00-0.92807706D-16 0.27755576D-16 -0.77715612D-15-0.49999915D+00 0.63317407D-16-0.11102230D-15 0.19428903D-15 -0.17063480D-05-0.10473159D-15-0.47775677D-16-0.10174642D-14 0.50000085D+00 0.11532778D-15 0.23486993D-15 0.96021111D-15-0.49999915D+00-0.33891120D-15 -0.40277499D-15 0.24321526D-15-0.27758998D-15 0.55622591D-16-0.36241484D-16 ORBITAL 0 1e2u 0.2361 -0.27755576D-15-0.26367797D-15 0.48572257D-16 0.57735027D+00 0.10408341D-15 -0.53429483D-15-0.45102810D-15-0.28867366D+00-0.16653345D-15 0.00000000D+00 -0.27755576D-15-0.28867661D+00-0.17347235D-15-0.79797280D-15-0.24286129D-15 0.57735027D+00 0.26099090D-15 0.52017845D-15-0.45969482D-16-0.28867366D+00 -0.39394171D-15 0.39230028D-15 0.33043665D-15-0.28867661D+00-0.39775206D-15 0.43994377D-15 0.11433514D-15-0.42335302D-15-0.77966245D-16 0.22934602D-15 ORBITAL 0 1b1g 2.5797 -0.55511151D-16 0.23592239D-15-0.27755576D-16-0.40824829D+00 0.32612801D-15 -0.11102230D-15 0.23592239D-15 0.40824829D+00-0.10234869D-15-0.36082248D-15 -0.27755576D-15-0.40824829D+00 0.11188966D-15-0.13877788D-15-0.29143354D-15 0.40824829D+00-0.12590170D-15 0.23500620D-15 0.47617473D-15-0.40824829D+00 0.12789467D-15 0.18184669D-15-0.20854845D-15 0.40824829D+00 0.35914709D-15 0.85677649D-16-0.13957710D-15 0.86075328D-16-0.77495788D-16 0.41552545D-17 ORBITAL 0 3e1u 4.4241 -0.10547016D+00 0.26137189D+00 0.14743080D-05 0.57362188D-15-0.52735412D-01 0.39799141D+00-0.78876375D-01 0.22558706D-16 0.52734756D-01 0.39799187D+00 0.78878526D-01 0.56821674D-15 0.10547016D+00 0.26137189D+00 0.14743080D-05 0.17839858D-14 0.52735412D-01 0.39799141D+00-0.78876375D-01 0.18179902D-14 -0.52734756D-01 0.39799187D+00 0.78878526D-01 0.21510571D-14-0.23911059D+00 -0.11955595D+00 0.11955464D+00 0.23911059D+00 0.11955595D+00-0.11955464D+00 ORBITAL 0 3e1u 4.4241 0.37888772D-06-0.94315606D-06 0.44353156D+00 0.13206570D-14-0.91339654D-01 -0.78878792D-01 0.30691203D+00-0.11636391D-15-0.91340032D-01 0.78876109D-01 0.30691157D+00-0.80024750D-16-0.37888772D-06-0.94315606D-06 0.44353156D+00 0.14553126D-14 0.91339654D-01-0.78878792D-01 0.30691203D+00 0.22204460D-14 0.91340032D-01 0.78876109D-01 0.30691157D+00 0.24702462D-14 0.75375443D-06 -0.20707547D+00-0.20707622D+00-0.75375443D-06 0.20707547D+00 0.20707622D+00 ORBITAL 0 1a2g 5.0462 0.32353458D-07 0.73403908D-07-0.40824829D+00-0.60724814D-15 0.31595024D-07 0.35355343D+00-0.20412408D+00-0.42853772D-15 0.33111911D-07 0.35355335D+00 0.20412421D+00 0.13665646D-15 0.32353460D-07-0.73403901D-07 0.40824829D+00 0.21929131D-15 0.31595026D-07-0.35355343D+00 0.20412408D+00-0.14959189D-15 0.33111914D-07-0.35355335D+00-0.20412421D+00-0.11248451D-14-0.51389000D-07 -0.50884294D-07-0.51893691D-07-0.51388994D-07-0.50884296D-07-0.51893696D-07 ORBITAL 0 3e2g 5.3383 -0.37987024D-06 0.37848112D-06 0.26330630D+00 0.24302599D-15-0.30885844D+00 0.27042778D+00 0.20508780D+00-0.34725669D-15 0.30885882D+00 0.27042749D+00 -0.20508840D+00 0.56456677D-17-0.37987024D-06-0.37848112D-06-0.26330630D+00 -0.12498636D-15-0.30885844D+00-0.27042778D+00-0.20508780D+00-0.11241008D-14 0.30885882D+00-0.27042749D+00 0.20508840D+00 0.36776138D-15-0.12872836D-06 -0.68913002D-01 0.68913131D-01-0.12872836D-06-0.68913002D-01 0.68913131D-01 ORBITAL 0 3e2g 5.3383 -0.35663922D+00 0.36121957D+00-0.31682925D-06 0.61356236D-15 0.17831994D+00 0.10717453D+00-0.27042784D+00 0.37810412D-15 0.17831928D+00-0.10717513D+00 -0.27042743D+00 0.37995322D-15-0.35663922D+00-0.36121957D+00 0.31682925D-06 -0.29198306D-15 0.17831994D+00-0.10717453D+00 0.27042784D+00 0.31918912D-15 0.17831928D+00 0.10717513D+00 0.27042743D+00 0.60021432D-15-0.79573955D-01 0.39787091D-01 0.39786868D-01-0.79573955D-01 0.39787091D-01 0.39786868D-01 ORBITAL 0 3a1g 5.5224 -0.16639609D+00-0.19637557D+00-0.88383924D-07 0.12725164D-14-0.16639609D+00 -0.98187705D-01-0.17006627D+00 0.18029787D-14-0.16639609D+00 0.98187858D-01 -0.17006618D+00 0.16174975D-14-0.16639609D+00 0.19637557D+00 0.88383907D-07 0.15753102D-14-0.16639609D+00 0.98187705D-01 0.17006627D+00 0.16098234D-14 -0.16639609D+00-0.98187858D-01 0.17006618D+00 0.14432899D-14 0.31688428D+00 0.31688428D+00 0.31688428D+00 0.31688428D+00 0.31688428D+00 0.31688428D+00 ORBITAL 0 2b2u 5.8331 -0.32887820D+00 0.13379948D-01-0.11410785D-07 0.32572861D-15 0.32887820D+00 -0.66899817D-02-0.11587372D-01-0.60737074D-16-0.32887820D+00-0.66899620D-02 0.11587383D-01 0.23849921D-15 0.32887820D+00 0.13379948D-01-0.11410790D-07 -0.19403136D-16-0.32887820D+00-0.66899817D-02-0.11587372D-01-0.27755576D-15 0.32887820D+00-0.66899620D-02 0.11587383D-01-0.24980018D-15 0.24150937D+00 -0.24150936D+00 0.24150936D+00-0.24150937D+00 0.24150936D+00-0.24150936D+00 ORBITAL 0 4e2g 6.1155 -0.28512835D+00-0.25584996D+00-0.44768351D-07 0.47260952D-15 0.14256429D+00 0.13319961D+00 0.70812364D-01-0.39944311D-16 0.14256406D+00-0.13319952D+00 0.70812116D-01-0.20120317D-15-0.28512835D+00 0.25584996D+00 0.44768403D-07 0.43835154D-15 0.14256429D+00-0.13319961D+00-0.70812364D-01-0.34694470D-15 0.14256406D+00 0.13319952D+00-0.70812116D-01-0.25326963D-15 0.42196409D+00 -0.21098224D+00-0.21098186D+00 0.42196409D+00-0.21098224D+00-0.21098186D+00 ORBITAL 0 4e2g 6.1155 0.13042505D-06 0.15032106D-06-0.92316099D-01-0.17628192D-15 0.24692833D+00 0.70812168D-01 0.21496645D+00-0.21102616D-15-0.24692846D+00 0.70812311D-01 -0.21496654D+00 0.51816040D-15 0.13042513D-06-0.15032109D-06 0.92316099D-01 0.12196199D-15 0.24692833D+00-0.70812168D-01-0.21496645D+00-0.52735594D-15 -0.24692846D+00-0.70812311D-01 0.21496654D+00 0.70776718D-15-0.22113370D-06 -0.36543151D+00 0.36543173D+00-0.22113377D-06-0.36543151D+00 0.36543173D+00 ORBITAL 0 4e1u 6.1945 -0.29482604D+00-0.21067348D+00 0.18567543D-06 0.75467233D-15-0.14741322D+00 0.13780690D+00-0.20119536D+00 0.42059288D-15 0.14741283D+00 0.13780717D+00 0.20119527D+00-0.26223743D-15 0.29482604D+00-0.21067348D+00 0.18567542D-06 -0.69871948D-15 0.14741322D+00 0.13780690D+00-0.20119536D+00-0.48572257D-16 -0.14741283D+00 0.13780717D+00 0.20119527D+00 0.72858386D-15 0.37084806D+00 0.18542426D+00-0.18542379D+00-0.37084806D+00-0.18542426D+00 0.18542379D+00 ORBITAL 0 4e1u 6.1945 0.22314680D-06 0.12422731D-06 0.25396721D+00 0.28392699D-15-0.25532673D+00 -0.20119543D+00-0.94513174D-01 0.64165543D-15-0.25532696D+00 0.20119521D+00 -0.94513442D-01 0.64896718D-15-0.22314676D-06 0.12422726D-06 0.25396721D+00 0.10071419D-15 0.25532673D+00-0.20119543D+00-0.94513174D-01-0.49960036D-15 0.25532696D+00 0.20119521D+00-0.94513442D-01-0.55511151D-16-0.27398703D-06 0.32116370D+00 0.32116397D+00 0.27398696D-06-0.32116370D+00-0.32116397D+00 ORBITAL 0 3b2u 6.4110 -0.12595898D+00 0.33851787D+00-0.37344160D-08 0.21870247D-15 0.12595897D+00 -0.16925894D+00-0.29316508D+00 0.21076947D-15-0.12595897D+00-0.16925893D+00 0.29316508D+00-0.46053196D-16 0.12595898D+00 0.33851787D+00-0.37344197D-08 0.22999917D-15-0.12595897D+00-0.16925894D+00-0.29316508D+00-0.27755576D-15 0.12595897D+00-0.16925893D+00 0.29316508D+00 0.13877788D-15-0.19028046D+00 0.19028046D+00-0.19028046D+00 0.19028046D+00-0.19028046D+00 0.19028046D+00 INVERSE_MATRIX[30x30]= 0.13450931D+01 -0.28009131D-01 0.12560194D+01 0.88744775D-14 0.27460084D-15 0.12651964D+01 0.94853938D-14 0.26163916D-14 0.20640446D-15 0.10378642D+01 -0.17473395D+00 0.13854981D+00-0.23167526D+00-0.28417721D-14 0.13450931D+01 -0.13136176D+00-0.33869549D-01-0.19415317D+00-0.96780258D-14-0.14004565D-01 0.12629021D+01 0.23582529D+00-0.18714647D+00 0.18627390D+00-0.33755553D-14-0.24256619D-01 -0.39737701D-02 0.12583136D+01 -0.16136556D-14-0.63991192D-14-0.10757313D-13-0.11523639D+00 0.10307799D-13 0.18159670D-14 0.27228340D-14 0.10378642D+01 -0.18179323D-01-0.72852674D-02-0.31623697D-01-0.15222088D-14-0.17473395D+00 0.26991157D+00 0.41500268D-02-0.13474060D-14 0.13450931D+01 -0.23744292D-01 0.34938371D-02-0.36507779D-01-0.78851199D-14-0.26991157D+00 0.29634562D+00-0.35033513D-02-0.85437728D-14 0.14004565D-01 0.12629021D+01 -0.22121075D-01-0.33775723D-02-0.19533981D-01-0.66108494D-14 0.41500268D-02 0.35033513D-02-0.14394127D+00-0.83566717D-14-0.24256619D-01 0.39737701D-02 0.12583136D+01 -0.45967818D-15-0.44335156D-14-0.73690883D-14 0.64739901D-02-0.38497253D-14 -0.18995849D-14-0.68676192D-14-0.11523639D+00 0.81964980D-14-0.20078310D-15 0.42606553D-15 0.10378642D+01 -0.13268662D-01 0.54218496D-02-0.95981125D-14-0.35759481D-14-0.18179323D-01 0.23744292D-01-0.22121075D-01-0.37487461D-14-0.17473395D+00 0.13136176D+00 0.23582529D+00-0.38491997D-14 0.13450931D+01 -0.54218496D-02 0.14672266D-01-0.14978080D-13-0.52557722D-14 0.72852674D-02 0.34938371D-02 0.33775723D-02-0.50397759D-14-0.13854981D+00-0.33869549D-01 0.18714647D+00-0.64198563D-14 0.28009131D-01 0.12560194D+01 0.16460227D-14-0.13208871D-13-0.14309404D-01-0.73060286D-14-0.31623697D-01 0.36507779D-01-0.19533981D-01-0.72806540D-14-0.23167526D+00 0.19415317D+00 0.18627390D+00-0.69618774D-14 0.22739900D-14-0.40945678D-14 0.12651964D+01 0.25101591D-15-0.42853213D-14-0.71352927D-14-0.41862919D-02 0.14525983D-14 -0.58042621D-14-0.45570508D-14 0.64739901D-02-0.70411526D-14-0.62330767D-14 -0.21303071D-14-0.11523639D+00 0.55100375D-14 0.33843151D-14 0.18855061D-15 0.10378642D+01 -0.18179323D-01-0.72852674D-02 0.31623697D-01-0.40377448D-14-0.13268662D-01 0.27109248D-02 0.46954595D-02-0.45397941D-14-0.18179323D-01 0.31029559D-01 0.95026221D-02-0.32081471D-14-0.17473395D+00-0.13854981D+00 0.23167526D+00 -0.67147098D-14 0.13450931D+01 -0.23744292D-01 0.34938371D-02 0.36507779D-01-0.55272999D-14-0.27109248D-02 -0.70639865D-02 0.12549431D-01-0.58436421D-14 0.31029559D-01-0.31047890D-01 -0.16565103D-01-0.54362387D-14 0.13136176D+00-0.33869549D-01-0.19415317D+00 -0.77189615D-14 0.14004565D-01 0.12629021D+01 0.22121075D-01 0.33775723D-02-0.19533981D-01-0.43393823D-14-0.46954595D-02 0.12549431D-01 0.74268485D-02-0.43087711D-14-0.95026221D-02 0.16565103D-01 0.15007746D-01-0.38578344D-14-0.23582529D+00-0.18714647D+00 0.18627390D+00 -0.80846310D-14 0.24256619D-01-0.39737701D-02 0.12583136D+01 0.97393303D-15-0.57446256D-14-0.73700269D-14 0.64739901D-02 0.62098857D-15 -0.52483812D-14-0.40566543D-14-0.41862919D-02 0.17356516D-15-0.76244195D-14 -0.71125143D-14 0.64739900D-02-0.72525808D-14-0.96043430D-14-0.65448191D-14 -0.11523639D+00 0.50226866D-14 0.21203266D-14 0.34811245D-14 0.10378642D+01 -0.17473395D+00 0.13854981D+00 0.23167526D+00-0.21949758D-14-0.18179323D-01 -0.31029559D-01 0.95026221D-02-0.29323988D-14-0.13268662D-01-0.27109248D-02 0.46954595D-02-0.23923529D-14-0.18179323D-01 0.72852674D-02 0.31623697D-01 -0.12735922D-14-0.17473395D+00-0.26991157D+00-0.41500268D-02-0.77955859D-14 0.13450931D+01 -0.13136176D+00-0.33869549D-01 0.19415317D+00-0.80404248D-14-0.31029559D-01 -0.31047890D-01 0.16565103D-01-0.76703594D-14 0.27109248D-02-0.70639865D-02 -0.12549431D-01-0.71022525D-14 0.23744292D-01 0.34938371D-02-0.36507779D-01 -0.83369387D-14 0.26991157D+00 0.29634562D+00-0.35033513D-02-0.34773800D-14 -0.14004565D-01 0.12629021D+01 -0.23582529D+00 0.18714647D+00 0.18627390D+00-0.63873578D-14-0.95026221D-02 -0.16565103D-01 0.15007746D-01-0.67674525D-14-0.46954595D-02-0.12549431D-01 0.74268485D-02-0.66105208D-14 0.22121075D-01-0.33775723D-02-0.19533981D-01 -0.61854602D-14-0.41500268D-02 0.35033513D-02-0.14394127D+00-0.91350859D-14 0.24256619D-01 0.39737701D-02 0.12583136D+01 -0.57659469D-14-0.29586215D-14-0.34111550D-14-0.11523639D+00 0.95344339D-15 -0.50793554D-14-0.47697226D-14 0.64739900D-02-0.10534669D-14-0.71191716D-14 -0.56483732D-14-0.41862919D-02-0.24129121D-14-0.45439772D-14-0.66132697D-14 0.64739901D-02-0.53476158D-14-0.68433704D-14-0.70529926D-14-0.11523639D+00 0.68881957D-14-0.13095368D-14 0.13195291D-14 0.10378642D+01 -0.27304034D+00-0.36463299D+00-0.94501308D-14-0.64725435D-14-0.33774136D-01 -0.51115041D-02 0.48094290D-01 0.29061726D-16-0.20076313D-02-0.50109230D-02 0.27673623D-02-0.69143116D-15-0.15918754D-02-0.44367529D-02-0.14700310D-14 -0.10956437D-14-0.20076313D-02-0.50109230D-02-0.27673623D-02-0.64693939D-15 -0.33774136D-01-0.51115041D-02-0.48094290D-01-0.84055443D-15 0.12442226D+01 -0.33774136D-01 0.39095125D-01-0.28473838D-01 0.12005651D-14-0.27304034D+00 -0.18231649D+00-0.31578143D+00-0.63418037D-14-0.33774136D-01-0.44206629D-01 0.19620453D-01 0.56440371D-15-0.20076313D-02-0.49020676D-02-0.29559054D-02 -0.70723548D-16-0.15918754D-02-0.22183764D-02-0.38423407D-02-0.57361094D-17 -0.20076313D-02-0.10885540D-03-0.57232678D-02-0.19611963D-16-0.24990596D-01 0.12442226D+01 -0.20076313D-02 0.49020676D-02-0.29559054D-02-0.20098446D-14-0.33774136D-01 0.44206629D-01 0.19620453D-01-0.12848742D-14-0.27304034D+00 0.18231649D+00 -0.31578143D+00-0.54456025D-14-0.33774136D-01-0.39095125D-01-0.28473838D-01 -0.23286621D-14-0.20076313D-02 0.10885540D-03-0.57232678D-02-0.23163738D-14 -0.15918754D-02 0.22183764D-02-0.38423407D-02-0.18406234D-14-0.25388725D-02 -0.24990596D-01 0.12442226D+01 -0.15918754D-02 0.44367529D-02-0.14720476D-13-0.52655350D-14-0.20076313D-02 0.50109230D-02 0.27673623D-02-0.51986086D-14-0.33774136D-01 0.51115041D-02 0.48094290D-01-0.48345184D-14-0.27304034D+00 0.36463299D+00-0.13307366D-13 -0.41412633D-14-0.33774136D-01 0.51115041D-02-0.48094290D-01-0.59078974D-14 -0.20076313D-02 0.50109230D-02-0.27673623D-02-0.50140283D-14-0.17185886D-02 -0.25388725D-02-0.24990596D-01 0.12442226D+01 -0.20076313D-02 0.49020676D-02 0.29559054D-02-0.56324365D-14-0.15918754D-02 0.22183764D-02 0.38423407D-02-0.54150649D-14-0.20076313D-02 0.10885540D-03 0.57232678D-02-0.60045236D-14-0.33774136D-01-0.39095125D-01 0.28473838D-01 -0.63887359D-14-0.27304034D+00 0.18231649D+00 0.31578143D+00-0.38435229D-14 -0.33774136D-01 0.44206629D-01-0.19620453D-01-0.60670143D-14-0.25388725D-02 -0.17185886D-02-0.25388726D-02-0.24990596D-01 0.12442226D+01 -0.33774136D-01 0.39095125D-01 0.28473838D-01-0.29997179D-14-0.20076313D-02 -0.10885540D-03 0.57232678D-02-0.37269424D-14-0.15918754D-02-0.22183764D-02 0.38423407D-02-0.37567113D-14-0.20076313D-02-0.49020676D-02 0.29559054D-02 -0.35502533D-14-0.33774136D-01-0.44206629D-01-0.19620453D-01-0.43155281D-14 -0.27304034D+00-0.18231649D+00 0.31578143D+00-0.45230086D-14-0.24990596D-01 -0.25388726D-02-0.17185886D-02-0.25388725D-02-0.24990596D-01 0.12442226D+01 Keywords: T=99D GRAPHF CHARGE=0 PM7 1SCF ALLVEC