NIST 07081516283D 1 1.00000 -3548.11850 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 0.9486 0.0884 0.0228 Ge 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -1.2515 -1.4952 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -0.5448 1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 0.1493 2.7647 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 -0.3616 1.8696 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -1.8500 1.9507 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 1.8973 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 2.7180 0.6728 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 2.4002 -1.4671 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 1.8893 -0.5542 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 0.0858 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 -1.0860 0.4363 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 0.2852 -1.2623 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 1.0736 0.7744 F 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 7 1 0 0 0 0 1 3 1 0 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 3 5 1 0 0 0 0 3 4 1 0 0 0 0 7 10 1 0 0 0 0 7 9 1 0 0 0 0 7 8 1 0 0 0 0 11 14 1 0 0 0 0 11 13 1 0 0 0 0 11 12 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. > 2015-07-08 > 66348-17-2 > B3LYP/6-31G* > 0.3710 debye > -3548.11849677 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.2574 0.0344 31.6083 0.0120 34.9927 0.0149 55.8649 0.5305 56.3797 0.5140 74.5907 2.6444 102.2722 3.2562 102.9028 3.2389 185.1811 0.0055 215.9736 0.0077 216.6432 0.0105 237.7510 0.0878 249.7065 0.0537 250.1467 0.0625 288.0556 2.8927 359.6496 42.2552 360.3847 42.4979 424.7665 61.4809 499.4250 0.0088 507.4951 0.1484 508.0073 0.1233 515.5873 0.4199 516.5341 0.3731 516.7448 0.4982 726.7398 0.7617 732.3560 4.1328 732.4351 4.0809 1150.8233 1.0605 1151.8786 0.8639 1153.2224 3.6228 1179.0370 87.4769 1179.6204 93.4158 1190.4456 497.5902 1199.7534 528.2207 1200.1025 526.5916 1214.0021 44.3305 > 0.51751 GHz 0.51580 GHz 0.42292 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$