NIST 07061516433D 1 1.00000 -2294.64883 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 14 13 0 0 0 0 0 0 0 0999 V2000 0.8351 -0.0074 0.0811 Ge 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -1.8286 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 0.5521 1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 1.2516 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -0.0085 0.0817 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6801 -2.1368 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.8952 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -2.5234 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6797 1.5528 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.1416 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 0.5727 1.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 2.2536 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 1.2979 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.9418 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 4 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-06 > 661-37-0 > B3LYP/6-31G* > 2.4964 debye > -2294.64882548 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 83.4498 0.0008 122.5067 0.0468 128.9535 0.0533 168.9660 0.0125 170.5250 0.0017 178.6741 0.2184 219.4431 12.7998 221.2063 12.8310 586.0553 0.3422 635.5905 23.8302 636.9434 24.2297 706.2259 56.7723 753.7974 0.0150 790.9288 29.6771 792.8084 29.2583 872.1916 62.6510 882.3200 52.0614 882.8269 51.5327 1322.2179 13.3011 1323.2313 13.2087 1329.9739 9.3304 1500.1204 0.0093 1500.7424 0.0157 1501.3671 0.0021 1510.6658 1.3095 1510.8973 1.3396 1516.1761 9.5974 3057.8020 5.5934 3058.2622 5.6512 3060.4824 4.4847 3136.2434 1.9108 3136.7171 2.9792 3138.6446 27.3403 3150.8600 0.5762 3151.6957 12.6880 3152.0058 12.4324 > 3.05837 GHz 3.05530 GHz 2.87835 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$