NIST 07091508243D 1 1.00000 -2691.82007 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 0999 V2000 7.5397 3.3867 -1.0805 Ge 0 0 0 0 0 0 0 0 0 0 0 0 6.3576 1.9344 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 2.8064 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0884 3.9800 -2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3259 4.8496 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 1.1500 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 1.6290 -1.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8473 0.0878 0.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -0.2062 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3878 0.5642 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3731 3.5468 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 1.5886 -1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6890 3.0823 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0246 1.8722 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0402 1.1244 -1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8054 4.3357 -3.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 5.7692 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 1.3655 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9643 2.2222 -2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0989 -0.5125 1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -1.0353 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 0.3358 -1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 4.4865 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 0.9952 -2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 3.6648 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0492 1.5107 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2970 0.1796 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5604 4.6526 -4.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 6.5789 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 16 3 0 0 0 0 5 17 3 0 0 0 0 6 8 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 7 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 12 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 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. > 2015-07-09 > 1675-59-8 > B3LYP/6-31G* > 0.8920 debye > -2691.82006716 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.6092 0.0060 29.7885 0.0012 43.8647 0.0244 62.9735 0.0366 72.6813 0.0040 93.7360 0.0949 98.1855 0.0301 175.3444 0.5132 185.9408 0.0656 226.9921 1.2650 236.1239 1.6574 273.6213 4.6426 300.5725 1.0019 342.0020 17.3852 367.2920 0.4294 408.7431 84.1638 409.1914 23.8021 411.5783 17.2355 417.7508 17.5884 483.9725 37.0985 488.3637 3.0207 526.0103 72.4151 547.9587 75.2907 632.6472 0.1588 633.2438 0.1838 689.3216 3.4073 695.1015 6.0105 723.0402 17.3054 723.6459 35.6031 761.8706 8.6800 763.0433 12.5438 765.2676 42.1656 765.8419 6.0514 766.5402 57.2740 767.7713 42.5690 879.6507 0.0461 880.2826 0.0563 946.6013 0.7484 947.5983 0.0401 997.7615 0.0117 998.2363 0.0093 1012.2871 2.1183 1012.8298 0.9534 1022.9372 0.6012 1023.8355 0.0423 1055.2529 0.4130 1055.3316 0.1652 1106.3603 0.7062 1107.0923 0.1855 1124.7816 12.2111 1126.8177 28.2844 1194.3978 0.0974 1194.5087 0.1082 1225.3642 9.6288 1226.0416 2.3310 1332.6460 3.8358 1336.4501 1.0178 1379.7949 1.4795 1380.7343 1.4665 1480.4019 20.4882 1482.3844 9.1588 1540.3304 2.5909 1541.0687 3.6876 1632.2370 0.1624 1633.0351 0.3532 1652.5151 0.0981 1652.7853 0.0653 2173.1280 33.6366 2175.3215 20.6763 3174.3225 6.0394 3174.7072 0.8181 3181.1810 0.3095 3181.7344 0.3557 3190.2702 6.5665 3190.9637 5.6966 3198.4890 34.3010 3199.3942 32.7172 3207.7633 41.1752 3208.3165 23.4605 3482.9709 51.2341 3483.2343 34.4792 > 0.52500 GHz 0.31133 GHz 0.26085 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$