Opt de Glicina con b3lyp/6-311++g(d,p) corina 12080917093D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 32 33 0 0 0 0 0 0 0 0 0 0 -0.0312 0.1245 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 1.1977 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 3.9534 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 1.8716 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 1.9048 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 3.2800 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 3.2567 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 1.3841 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 3.8291 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1227 3.7834 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 5.0268 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 1.0732 -0.0658 B 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.8439 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 3.2029 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 2.7119 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 1.6670 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.3468 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4701 3.3866 -0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 2.8557 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 0.9993 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6144 2.2068 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 4.0562 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2523 3.7333 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 -0.3460 -0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1828 -2.8939 -0.3427 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -3.9001 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 -2.5108 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7838 -2.4684 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -2.8727 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -2.8371 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 -0.9633 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -0.3120 -0.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 4 0 0 0 0 2 5 4 0 0 0 0 3 6 4 0 0 0 0 3 7 4 0 0 0 0 3 11 1 0 0 0 0 4 7 4 0 0 0 0 4 12 1 0 0 0 0 5 6 4 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 15 4 0 0 0 0 13 16 4 0 0 0 0 14 17 4 0 0 0 0 14 18 4 0 0 0 0 14 23 1 0 0 0 0 15 18 4 0 0 0 0 15 19 1 0 0 0 0 16 17 4 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 24 31 4 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 M END $$$$