Title Card Required GAUSSIAN 10 MOL ORBITALS 187 PRIMITIVES 5 NUCLEI C 1 (CENTRE 1) 0.00000000 0.00000000 2.38381035 CHARGE = 6.0 C 2 (CENTRE 2) 0.00000000 0.00000000 -2.38381035 CHARGE = 6.0 H 3 (CENTRE 3) 0.00000000 0.00000000 4.39130165 CHARGE = 1.0 H 4 (CENTRE 4) 0.00000000 0.00000000 -4.39130165 CHARGE = 1.0 C 5 (CENTRE 5) 0.00000000 0.00000000 0.00000000 CHARGE = 6.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 CENTRE ASSIGNMENTS 5 5 5 5 5 5 5 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 TYPE ASSIGNMENTS 4 4 4 2 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 TYPE ASSIGNMENTS 10 11 12 13 17 14 15 18 19 16 20 1 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 2 2 2 2 3 3 3 3 4 4 4 4 2 3 4 2 3 4 TYPE ASSIGNMENTS 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 17 14 15 18 19 TYPE ASSIGNMENTS 16 20 1 1 1 1 1 2 3 4 2 3 4 5 6 7 8 9 10 1 TYPE ASSIGNMENTS 1 1 1 1 2 3 4 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 2 TYPE ASSIGNMENTS 3 4 2 3 4 5 6 7 8 9 10 5 6 7 8 9 10 11 12 13 TYPE ASSIGNMENTS 17 14 15 18 19 16 20 EXPONENTS 0.1357535D+05 0.2035233D+04 0.4632256D+03 0.1312002D+03 0.4285302D+02 EXPONENTS 0.1558419D+02 0.6206714D+01 0.2576490D+01 0.5769634D+00 0.2297283D+00 EXPONENTS 0.9516444D-01 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 EXPONENTS 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 0.3469723D+02 EXPONENTS 0.7958262D+01 0.2378083D+01 0.8143321D+00 0.2888755D+00 0.2888755D+00 EXPONENTS 0.2888755D+00 0.1005682D+00 0.1005682D+00 0.1005682D+00 0.1097000D+01 EXPONENTS 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 EXPONENTS 0.3180000D+00 0.3180000D+00 0.3180000D+00 0.3180000D+00 0.3180000D+00 EXPONENTS 0.3180000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.1357535D+05 0.2035233D+04 0.4632256D+03 0.1312002D+03 EXPONENTS 0.4285302D+02 0.1558419D+02 0.6206714D+01 0.2576490D+01 0.5769634D+00 EXPONENTS 0.2297283D+00 0.9516444D-01 0.3469723D+02 0.7958262D+01 0.2378083D+01 EXPONENTS 0.8143321D+00 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 EXPONENTS 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 0.2888755D+00 EXPONENTS 0.2888755D+00 0.2888755D+00 0.1005682D+00 0.1005682D+00 0.1005682D+00 EXPONENTS 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 EXPONENTS 0.1097000D+01 0.3180000D+00 0.3180000D+00 0.3180000D+00 0.3180000D+00 EXPONENTS 0.3180000D+00 0.3180000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.7610000D+00 0.3406134D+02 0.5123575D+01 0.1164663D+01 EXPONENTS 0.3272304D+00 0.1030724D+00 0.1407000D+01 0.1407000D+01 0.1407000D+01 EXPONENTS 0.3880000D+00 0.3880000D+00 0.3880000D+00 0.1057000D+01 0.1057000D+01 EXPONENTS 0.1057000D+01 0.1057000D+01 0.1057000D+01 0.1057000D+01 0.3406134D+02 EXPONENTS 0.5123575D+01 0.1164663D+01 0.3272304D+00 0.1030724D+00 0.1407000D+01 EXPONENTS 0.1407000D+01 0.1407000D+01 0.3880000D+00 0.3880000D+00 0.3880000D+00 EXPONENTS 0.1057000D+01 0.1057000D+01 0.1057000D+01 0.1057000D+01 0.1057000D+01 EXPONENTS 0.1057000D+01 0.1357535D+05 0.2035233D+04 0.4632256D+03 0.1312002D+03 EXPONENTS 0.4285302D+02 0.1558419D+02 0.6206714D+01 0.2576490D+01 0.5769634D+00 EXPONENTS 0.2297283D+00 0.9516444D-01 0.3469723D+02 0.7958262D+01 0.2378083D+01 EXPONENTS 0.8143321D+00 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 EXPONENTS 0.3469723D+02 0.7958262D+01 0.2378083D+01 0.8143321D+00 0.2888755D+00 EXPONENTS 0.2888755D+00 0.2888755D+00 0.1005682D+00 0.1005682D+00 0.1005682D+00 EXPONENTS 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 0.1097000D+01 EXPONENTS 0.1097000D+01 0.3180000D+00 0.3180000D+00 0.3180000D+00 0.3180000D+00 EXPONENTS 0.3180000D+00 0.3180000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 0.7610000D+00 EXPONENTS 0.7610000D+00 0.7610000D+00 MO 1 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = 0.000000 0.55515816D-15 0.10361440D-14 0.17684208D-14 0.27483025D-14 0.36811569D-14 0.37813455D-14 0.40091952D-14 0.11880407D-14 -0.21552416D-13 0.13315318D-12 0.12245949D-13 0.27487672D+00 0.29339378D+00 0.25693619D+00 0.16225200D+00 0.12763949D-28 0.13623792D-28 0.11930877D-28 0.75342002D-29 -0.51617974D-14 -0.55095217D-14 -0.48248995D-14 -0.30468639D-14 0.52056776D-01 -0.97742405D-29 -0.84232179D-13 0.55481260D-02 0.39017017D-30 -0.55010155D-14 -0.26735965D-15 -0.34388661D-15 0.61124626D-15 0.14287725D-16 -0.40029666D-01 -0.66195632D-30 -0.13754346D-13 -0.13752824D-13 0.27507170D-13 -0.96955174D-17 -0.64954210D-02 0.15290172D-28 -0.20530378D-02 0.47443869D-29 -0.49626867D-14 -0.58394293D-02 0.49185218D-29 0.74258407D-14 0.11998543D-01 -0.19151683D-28 0.74622195D-14 0.69369733D-16 0.44424016D-15 0.82912725D-15 0.14150986D-14 0.21992045D-14 0.29456790D-14 0.30258504D-14 -0.24432591D-14 -0.72400843D-15 0.67920232D-14 0.11363567D-13 -0.29564654D-13 0.27487672D+00 0.29339378D+00 0.25693619D+00 0.16225200D+00 -0.24817594D-29 -0.26489431D-29 -0.23197811D-29 -0.14649128D-29 0.11913384D-14 0.12715929D-14 0.11135827D-14 0.70321358D-15 0.52056776D-01 0.67217245D-29 -0.15684671D-14 0.55481260D-02 -0.27438799D-30 -0.82470404D-14 0.53476336D-15 0.52591228D-15 -0.10606756D-14 0.12052039D-16 0.40029666D-01 -0.55175516D-29 -0.10841269D-14 -0.10829992D-14 0.21671261D-14 -0.21396618D-17 0.64954210D-02 0.80714379D-29 -0.20530378D-02 -0.15675737D-30 -0.20292094D-14 -0.58394293D-02 -0.14917179D-30 0.30447939D-14 0.11998543D-01 0.61944388D-30 0.30428341D-14 0.92804567D-17 -0.35338582D-15 -0.63778946D-15 -0.94159040D-15 -0.19234700D-13 0.39760928D-14 0.59424931D-02 0.66969708D-29 -0.38718369D-14 0.36578566D-02 -0.43805864D-29 0.62996981D-14 -0.13674838D-14 -0.13472903D-14 0.27147741D-14 -0.17572414D-16 -0.13554493D-02 -0.23359148D-29 0.18100971D-15 0.32668569D-15 0.48229725D-15 -0.93988823D-14 -0.26612703D-14 0.59424931D-02 -0.90142323D-30 -0.27513847D-14 0.36578566D-02 0.28000153D-29 -0.44561109D-14 0.10373089D-14 0.10291964D-14 -0.20665052D-14 0.51418611D-17 0.13554493D-02 0.30612544D-29 0.95952490D-15 0.17908517D-14 0.30565052D-14 0.47501142D-14 0.63624423D-14 0.65356063D-14 0.85971305D-15 0.25475788D-15 0.22338446D-13 -0.12477555D-12 0.15598653D-13 0.43006100D+00 0.45903204D+00 0.40199197D+00 0.25385292D+00 0.72796616D-29 0.77700558D-29 0.68045360D-29 0.42969796D-29 0.44530251D-14 0.47530030D-14 0.41623871D-14 0.26284955D-14 0.80454538D-01 0.75656322D-29 -0.85153296D-13 0.96736441D-02 0.20193880D-30 -0.15511741D-13 -0.12437223D-15 -0.14886123D-15 0.27323346D-15 -0.12208669D-16 -0.17371863D-15 -0.22876633D-29 0.12938084D-13 0.12906160D-13 -0.25844244D-13 0.93970537D-17 0.41833132D-15 0.20952093D-28 -0.45166461D-02 -0.39102275D-29 -0.41884832D-14 -0.88841907D-02 -0.38330895D-29 0.63344993D-14 0.22434129D-01 0.15563772D-28 0.62309502D-14 0.60443753D-16 MO 2 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = 0.000000 0.15974063D-03 0.29813899D-03 0.50884357D-03 0.79079370D-03 0.10592123D-02 0.10880404D-02 -0.23899588D-02 -0.70821400D-03 0.34317975D-02 0.20851371D-02 -0.36092160D-03 -0.34164405D-16 -0.36465889D-16 -0.31934578D-16 -0.20166288D-16 0.29330535D+00 0.31306386D+00 0.27416203D+00 0.17312991D+00 0.75837959D-02 0.80946780D-02 0.70888201D-02 0.44765015D-02 0.30704552D-16 0.53906008D-01 0.10067841D-02 0.41998355D-16 0.74676239D-02 0.28546989D-03 -0.21082602D-03 -0.26883882D-03 0.47966485D-03 0.13525585D-16 0.23271662D-15 -0.34135135D-01 -0.26104983D-04 -0.35331223D-04 0.61436207D-04 -0.91500220D-17 -0.17774529D-16 -0.46819210D-02 -0.20332766D-16 -0.41455458D-02 0.17218293D-03 -0.17557137D-15 0.82644736D-03 -0.19348008D-03 0.23656967D-15 0.11610190D-01 -0.32306872D-03 0.66640305D-16 0.46739618D-03 0.87234551D-03 0.14888606D-02 0.23138380D-02 0.30992225D-02 0.31835728D-02 0.82816778D-02 0.24541010D-02 -0.67007000D-02 -0.22486086D-02 -0.17317380D-03 -0.37084481D-16 -0.39582676D-16 -0.34664068D-16 -0.21889927D-16 0.31383096D+00 0.33497218D+00 0.29334799D+00 0.18524560D+00 -0.86381082D-02 -0.92200141D-02 -0.80743201D-02 -0.50988324D-02 0.39582858D-16 0.57855542D-01 -0.42499068D-03 0.41799270D-16 0.84228095D-02 -0.16559425D-04 0.69910480D-03 0.87587926D-03 -0.15749841D-02 0.11827959D-16 -0.23453375D-15 0.34604168D-01 0.22955671D-04 0.45535171D-04 -0.68490842D-04 -0.21808176D-17 0.31396164D-16 0.45228433D-02 -0.21603879D-16 -0.43601452D-02 -0.13489284D-03 -0.17673105D-15 0.94521439D-03 0.13112424D-03 0.24154268D-15 0.12135221D-01 0.27355428D-03 0.86152128D-17 0.12310796D-02 0.22218480D-02 0.32801902D-02 0.18700257D-02 0.95069824D-04 -0.17822123D-15 0.71058094D-02 -0.73978118D-03 -0.10280851D-15 0.42595416D-02 -0.19141033D-03 -0.19407413D-04 -0.81752665D-04 0.10116008D-03 -0.18037108D-16 0.44602650D-15 -0.18960522D-02 -0.53866985D-03 -0.97218942D-03 -0.14352765D-02 -0.68296186D-03 -0.40623065D-04 -0.18225699D-15 0.77831318D-02 -0.48929465D-03 -0.96548815D-16 0.46829571D-02 -0.12725859D-03 0.32770017D-04 0.71548084D-04 -0.10431810D-03 0.50372122D-17 -0.43696104D-15 0.21336147D-02 0.10365227D-01 0.19345599D-01 0.33017766D-01 0.51312905D-01 0.68730010D-01 0.70600607D-01 0.50454205D-01 0.14951042D-01 -0.42110175D-02 -0.32937134D-02 0.38617905D-03 -0.29724278D-15 -0.31726653D-15 -0.27784247D-15 -0.17545406D-15 0.40291591D+00 0.43005832D+00 0.37661857D+00 0.23782993D+00 0.11971892D-01 0.12778378D-01 0.11190516D-01 0.70666712D-02 -0.54994172D-16 0.73462994D-01 0.16617704D-02 -0.55539846D-16 0.57519457D-02 0.31799240D-03 0.43176216D-03 0.50990254D-03 -0.94166470D-03 -0.12512967D-16 -0.42917789D-17 -0.22358807D-02 0.14822057D-03 0.20434510D-03 -0.35256567D-03 0.92650031D-17 0.10986617D-16 -0.51306966D-03 0.27495605D-16 -0.68218806D-02 0.17640730D-03 0.26303497D-15 -0.27542172D-02 -0.21463202D-03 -0.34552179D-15 0.23219859D-01 -0.31458989D-03 0.58545395D-16 MO 3 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = 0.000000 0.21965136D-01 0.40995602D-01 0.69968535D-01 0.10873809D+00 0.14564699D+00 0.14961100D+00 0.11747222D+00 0.34810421D-01 -0.22628524D-01 -0.12842679D-01 0.11715175D-02 0.59424621D-15 0.63427759D-15 0.55546122D-15 0.35076684D-15 0.32891845D+00 0.35107603D+00 0.30745075D+00 0.19415132D+00 -0.23388991D-01 -0.24964589D-01 -0.21862449D-01 -0.13805864D-01 0.27104821D-16 0.63141449D-01 -0.33989564D-02 0.25513994D-16 0.14942876D-01 -0.12641827D-02 0.11138668D-02 0.15025507D-02 -0.26164176D-02 0.89041199D-18 0.33457144D-16 -0.91304391D-02 -0.21868075D-03 -0.20340007D-03 0.42208081D-03 -0.29745822D-17 -0.12417630D-15 0.21399083D-02 -0.85403435D-16 -0.35024025D-02 -0.12682696D-02 0.38177230D-15 0.18519791D-02 0.16176394D-02 -0.12556199D-15 0.86552285D-02 0.21871694D-02 0.33996836D-16 -0.43226956D-01 -0.80678539D-01 -0.13769670D+00 -0.21399442D+00 -0.28663040D+00 -0.29443151D+00 -0.26548849D+00 -0.78671928D-01 0.78116817D-01 0.30502500D-01 0.57411029D-02 0.61205854D-15 0.65328985D-15 0.57211099D-15 0.36128095D-15 -0.29319114D+00 -0.31294195D+00 -0.27405527D+00 -0.17306249D+00 0.12161496D+00 0.12980754D+00 0.11367745D+00 0.71785891D-01 -0.19156406D-16 -0.56564772D-01 0.97504079D-02 0.27513946D-16 -0.14007794D-01 0.15923743D-02 -0.80661659D-02 -0.10257486D-01 0.18323652D-01 0.78328986D-17 -0.29397770D-16 -0.50854325D-02 -0.42012620D-03 -0.73524925D-03 0.11553755D-02 -0.16902667D-17 0.65783407D-16 0.26815684D-02 -0.73251394D-16 0.30018799D-02 0.19472219D-02 0.39360686D-15 -0.17477245D-02 -0.19070126D-02 -0.17385268D-15 -0.72579151D-02 -0.39346532D-02 0.40011017D-17 -0.58892815D-02 -0.10628954D-01 -0.15691889D-01 -0.99616863D-02 -0.27274378D-03 0.29778816D-16 0.10702538D-01 0.35418760D-02 0.11374893D-15 0.66797517D-02 0.16902665D-02 0.23026308D-03 0.51450029D-03 -0.74476337D-03 -0.18133105D-16 -0.54085628D-15 -0.37186976D-02 0.50368841D-02 0.90905505D-02 0.13420691D-01 0.63619285D-02 0.78432966D-03 0.55359058D-16 -0.98263894D-02 0.56115997D-02 0.89834741D-16 -0.61535249D-02 0.17330746D-02 -0.64991221D-03 -0.10460447D-02 0.16959569D-02 0.31776033D-17 0.52736056D-15 -0.34815694D-02 -0.10803523D+00 -0.20163633D+00 -0.34413932D+00 -0.53482686D+00 -0.71636278D+00 -0.73585974D+00 -0.53136181D+00 -0.15745789D+00 0.49839170D-01 0.32971177D-01 -0.38088548D-02 0.76867649D-15 0.82045836D-15 0.71850687D-15 0.45372813D-15 0.23709834D-01 0.25307047D-01 0.22162352D-01 0.13995249D-01 -0.16853636D+00 -0.17988981D+00 -0.15753641D+00 -0.99482276D-01 0.66415767D-16 0.43229751D-02 -0.22798668D-01 0.10929008D-16 0.33847679D-03 -0.10735501D-02 -0.52699295D-02 -0.62102566D-02 0.11480186D-01 -0.94926687D-17 0.39845216D-17 0.67767190D-01 -0.13566736D-02 -0.19855901D-02 0.33422638D-02 0.65125065D-17 -0.50062587D-16 0.15550601D-01 0.80358577D-16 -0.40143776D-03 -0.24196154D-02 -0.68819372D-16 -0.16207361D-03 0.29905435D-02 -0.17225636D-15 0.13663869D-02 0.42683028D-02 0.35408397D-16 MO 4 MO 0.0 OCC NO = 2.0000000 ORB. 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ENERGY = 0.000000 0.43391324D-01 0.80985315D-01 0.13822029D+00 0.21480812D+00 0.28772030D+00 0.29555107D+00 0.20747875D+00 0.61481963D-01 -0.19642840D-01 0.13809095D-01 -0.35375349D-02 0.33268951D-14 0.35510113D-14 0.31097568D-14 0.19637727D-14 -0.14431478D-02 -0.15403654D-02 -0.13489571D-02 -0.85184958D-03 0.25285048D+00 0.26988374D+00 0.23634755D+00 0.14925053D+00 0.11394362D-14 -0.27251602D-03 0.31669841D-01 0.62638622D-16 -0.54524972D-04 0.40070214D-02 0.27521887D-02 0.36869139D-02 -0.64391025D-02 -0.27898457D-19 -0.91888027D-16 0.89042720D-04 -0.21807335D-02 -0.21716559D-02 0.43523894D-02 0.25295217D-19 -0.31334806D-15 0.30296562D-05 -0.32197549D-15 0.17293546D-04 0.21470485D-02 -0.13413187D-15 -0.65709862D-05 -0.12227659D-02 0.11000583D-14 -0.45309651D-04 -0.52183796D-02 -0.21761368D-18 0.86184753D-02 0.16085472D-01 0.27453602D-01 0.42665638D-01 0.57147607D-01 0.58702970D-01 0.54079186D-01 0.16025229D-01 -0.20220420D-01 0.88989793D-02 0.65991741D-03 0.34480409D-14 0.36803181D-14 0.32229957D-14 0.20352816D-14 0.20232460D-03 0.21595419D-03 0.18911937D-03 0.11942652D-03 -0.17177246D+00 -0.18334391D+00 -0.16056130D+00 -0.10139246D+00 0.64502289D-15 0.44105499D-04 -0.22334932D-01 0.66564310D-16 0.22049204D-04 -0.17469693D-02 0.26204965D-02 0.34127807D-02 -0.60332772D-02 -0.43493841D-19 0.28698433D-15 -0.51441911D-04 -0.15194816D-02 -0.15114264D-02 0.30309080D-02 0.86854153D-20 -0.27660883D-15 -0.15782404D-04 -0.16530294D-15 0.89796826D-07 -0.13458115D-02 0.22885429D-16 0.29501866D-05 0.63439739D-03 0.47302338D-15 -0.32195770D-05 0.34030372D-02 -0.27066363D-19 0.17652923D-01 0.31859933D-01 0.47035909D-01 0.17848975D-01 0.20694403D-02 -0.71500258D-15 -0.42363877D-04 -0.10191037D-01 0.21774541D-16 -0.26109961D-04 0.36804676D-02 0.55926945D-03 -0.21501944D-03 -0.34425001D-03 0.83078849D-19 0.87828291D-15 0.13640087D-04 0.10942835D-01 0.19749589D-01 0.29156993D-01 0.91441835D-02 0.14539679D-02 -0.51331264D-15 0.11934890D-04 0.65565536D-02 -0.13993217D-15 0.78339012D-05 -0.34382670D-02 0.42386751D-03 -0.18560809D-04 -0.40530670D-03 -0.18094541D-19 -0.75924236D-15 0.54045328D-05 -0.12936192D+00 -0.24144034D+00 -0.41207413D+00 -0.64040434D+00 -0.85777635D+00 -0.88112210D+00 -0.46580098D+00 -0.13803032D+00 -0.12333442D+00 -0.57958278D-01 0.21650597D-02 0.58651306D-14 0.62602350D-14 0.54823279D-14 0.34620217D-14 -0.82345165D-03 -0.87892344D-03 -0.76970698D-03 -0.48606036D-03 -0.42215755D-01 -0.45059618D-01 -0.39460436D-01 -0.24918774D-01 0.89104610D-15 -0.15013858D-03 -0.74213684D-02 0.13709068D-15 -0.11755429D-04 0.13409136D-02 0.14276053D-01 0.16132082D-01 -0.30408134D-01 0.49277953D-19 0.24498317D-16 -0.17924340D-03 0.11272630D-02 0.23427753D-02 -0.34700382D-02 -0.35089624D-19 -0.53390407D-15 -0.41131153D-04 0.71168090D-16 0.13942087D-04 -0.55735468D-03 -0.41873692D-15 0.56288785D-05 0.72030581D-03 0.20523266D-15 -0.47455141D-04 0.95175824D-03 -0.20618074D-18 MO 10 MO 0.0 OCC NO = 2.0000000 ORB. ENERGY = 0.000000 0.16240708D+00 0.30311564D+00 0.51733738D+00 0.80399394D+00 0.10768931D+01 0.11062024D+01 0.69090730D+00 0.20473584D+00 0.36124629D-01 0.31639453D-01 0.15455662D-03 -0.17476906D-14 -0.18654237D-14 -0.16336231D-14 -0.10316126D-14 -0.25262752D-03 -0.26964577D-03 -0.23613915D-03 -0.14911893D-03 0.20511469D-01 0.21893224D-01 0.19172736D-01 0.12107344D-01 -0.55477314D-15 -0.46793859D-04 -0.92111636D-02 -0.34546959D-16 -0.73205999D-05 0.85060847D-03 -0.42512997D-02 -0.47855861D-02 0.90368858D-02 -0.97181878D-20 0.24814474D-15 0.25457455D-04 -0.20020266D-02 -0.21573529D-02 0.41593795D-02 0.68952605D-20 0.33469802D-15 0.30327772D-05 0.15570726D-15 0.34155029D-05 0.64700112D-03 0.12661569D-15 -0.83699559D-06 -0.87542253D-03 -0.59373747D-15 -0.94095130D-05 -0.10655808D-02 -0.51887175D-19 0.16694128D+00 0.31157824D+00 0.53178077D+00 0.82644040D+00 0.11069585D+01 0.11370862D+01 0.71256949D+00 0.21115498D+00 0.34915241D-01 0.29449146D-01 -0.88281389D-04 -0.18350560D-14 -0.19586745D-14 -0.17152864D-14 -0.10831820D-14 -0.18302855D-03 -0.19535826D-03 -0.17108273D-03 -0.10803661D-03 -0.15969870D-01 -0.17045680D-01 -0.14927556D-01 -0.94265653D-02 -0.23335101D-15 -0.33401637D-04 0.92649462D-02 -0.37346496D-16 -0.40817222D-05 -0.84169764D-03 -0.41706787D-02 -0.46654753D-02 0.88361540D-02 -0.94527905D-20 -0.34249162D-15 -0.23867044D-04 -0.18454223D-02 -0.19941725D-02 0.38395948D-02 0.17761760D-20 0.10953984D-15 -0.35721835D-05 0.90555266D-16 0.26878314D-05 -0.64578050D-03 0.61347751D-16 -0.43427608D-06 0.90776782D-03 -0.33301355D-15 -0.76292182D-05 0.10295737D-02 -0.66546368D-20 0.64649224D-02 0.11667869D-01 0.17225674D-01 0.65384321D-02 0.72369561D-03 0.69728836D-15 -0.64901907D-05 -0.23032821D-02 -0.23379587D-15 -0.39262510D-05 0.84080507D-03 0.90767398D-03 0.53520260D-03 -0.14428766D-02 0.15252282D-19 -0.76458378D-16 0.18485293D-05 0.57469877D-02 0.10372143D-01 0.15312749D-01 0.56894272D-02 0.57573219D-03 0.57905190D-15 -0.41935017D-05 0.17427127D-02 -0.66854640D-16 -0.24905186D-05 -0.85678940D-03 0.96208404D-03 0.62774923D-03 -0.15898333D-02 -0.40042860D-20 0.23785897D-15 -0.10429941D-05 0.29516961D-01 0.55090285D-01 0.94024392D-01 0.14612329D+00 0.19572182D+00 0.20104870D+00 0.11493258D+00 0.34057851D-01 0.27061630D-01 -0.33880130D-01 0.40722290D-02 -0.26507413D-14 -0.28293084D-14 -0.24777340D-14 -0.15646581D-14 -0.28911590D-03 -0.30859218D-03 -0.27024601D-03 -0.17065699D-03 -0.21365249D-03 -0.22804518D-03 -0.19970791D-03 -0.12611306D-03 -0.50462381D-15 -0.52714026D-04 -0.72503456D-03 -0.52926431D-16 -0.41273599D-05 -0.60339560D-04 -0.23860085D-02 -0.27082473D-02 0.50942558D-02 0.10163417D-19 -0.13130142D-15 -0.75815047D-05 0.46657236D-02 0.45379648D-02 -0.92036884D-02 -0.74554892D-20 0.38131254D-15 -0.17397350D-05 -0.67966091D-16 0.48951012D-05 0.22116460D-05 0.45247840D-16 0.19763131D-05 -0.53495420D-06 0.15865043D-15 -0.16661617D-04 -0.60999837D-05 -0.46334012D-19 END DATA TOTAL ENERGY = -115.289412529538 THE VIRIAL(-V/T)= 2.00482102