[Molden Format] [N_Atoms] 7 [Atoms] (AU) C1 1 6 0.00000000 0.00000000 2.44902081 H2 2 1 0.00000000 1.64971390 3.64947878 H2 3 1 0.00000000 -1.64971390 3.64947878 C3 4 6 0.00000000 0.00000000 0.00000000 C1 5 6 0.00000000 0.00000000 -2.44902081 H2 6 1 0.00000000 1.64971390 -3.64947878 H2 7 1 0.00000000 -1.64971390 -3.64947878 [GTO] (AU) 1 s 3 0.294124936E+01 -0.999672292E-01 0.683483096E+00 0.399512826E+00 0.222289916E+00 0.700115469E+00 p 3 0.294124936E+01 0.155916275E+00 0.683483096E+00 0.607683719E+00 0.222289916E+00 0.391957393E+00 2 s 3 0.342525091E+01 0.154328967E+00 0.623913730E+00 0.535328142E+00 0.168855404E+00 0.444634542E+00 3 s 3 0.342525091E+01 0.154328967E+00 0.623913730E+00 0.535328142E+00 0.168855404E+00 0.444634542E+00 4 s 3 0.294124936E+01 -0.999672292E-01 0.683483096E+00 0.399512826E+00 0.222289916E+00 0.700115469E+00 p 3 0.294124936E+01 0.155916275E+00 0.683483096E+00 0.607683719E+00 0.222289916E+00 0.391957393E+00 5 s 3 0.294124936E+01 -0.999672292E-01 0.683483096E+00 0.399512826E+00 0.222289916E+00 0.700115469E+00 p 3 0.294124936E+01 0.155916275E+00 0.683483096E+00 0.607683719E+00 0.222289916E+00 0.391957393E+00 6 s 3 0.342525091E+01 0.154328967E+00 0.623913730E+00 0.535328142E+00 0.168855404E+00 0.444634542E+00 7 s 3 0.342525091E+01 0.154328967E+00 0.623913730E+00 0.535328142E+00 0.168855404E+00 0.444634542E+00 [MO] Sym= 2ag Ene= -0.68337 Spin= Alpha Occup= 2.00000 1 0.18027 2 0.00000 3 0.00000 4 0.31746 5 0.22574 6 0.22574 7 -0.38514 8 0.00000 9 0.00000 10 0.00000 11 0.18027 12 0.00000 13 0.00000 14 -0.31746 15 0.22574 16 0.22574 Sym= 4ag Ene= 2.02381 Spin= Alpha Occup= 0.00000 1 -0.99402 2 0.00000 3 0.00000 4 0.65816 5 0.17118 6 0.17118 7 1.67589 8 0.00000 9 0.00000 10 0.00000 11 -0.99402 12 0.00000 13 0.00000 14 -0.65816 15 0.17118 16 0.17118 Sym= 1b2u Ene= -0.51226 Spin= Alpha Occup= 2.00000 1 0.00000 2 0.42525 3 0.00000 4 0.00000 5 0.00000 6 0.00000 7 0.00000 8 0.58424 9 0.00000 10 0.00000 11 0.00000 12 0.42525 13 0.00000 14 0.00000 15 0.00000 16 0.00000 Sym= 2b2u Ene= -0.21060 Spin= Alpha Occup= 0.00000 1 0.00000 2 -0.63540 3 0.00000 4 0.00000 5 0.00000 6 0.00000 7 0.00000 8 0.92498 9 0.00000 10 0.00000 11 0.00000 12 -0.63540 13 0.00000 14 0.00000 15 0.00000 16 0.00000 Sym= 2b3u Ene= -0.37519 Spin= Alpha Occup= 0.00000 1 0.00000 2 0.00000 3 -0.06490 4 0.00000 5 -0.26946 6 0.26946 7 0.00000 8 0.00000 9 0.93801 10 0.00000 11 0.00000 12 0.00000 13 -0.06490 14 0.00000 15 -0.26946 16 0.26946 Sym= 2b1u Ene= -0.53724 Spin= Alpha Occup= 2.00000 1 0.06320 2 0.00000 3 0.00000 4 -0.40165 5 -0.18626 6 -0.18626 7 0.00000 8 0.00000 9 0.00000 10 0.46913 11 -0.06320 12 0.00000 13 0.00000 14 -0.40165 15 0.18626 16 0.18626 Sym= 4b1u Ene= 2.38036 Spin= Alpha Occup= 0.00000 1 -1.25103 2 0.00000 3 0.00000 4 0.62661 5 0.25351 6 0.25351 7 0.00000 8 0.00000 9 0.00000 10 1.68387 11 1.25103 12 0.00000 13 0.00000 14 0.62661 15 -0.25351 16 -0.25351 Sym= 1b3g Ene= -0.41130 Spin= Alpha Occup= 2.00000 1 0.00000 2 0.71566 3 0.00000 4 0.00000 5 0.00000 6 0.00000 7 0.00000 8 0.00000 9 0.00000 10 0.00000 11 0.00000 12 -0.71566 13 0.00000 14 0.00000 15 0.00000 16 0.00000