NIST 07101519453D 1 1.00000 -394.33969 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 32 31 0 0 0 0 0 0 0 0999 V2000 1.0289 -0.1151 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 0.2932 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0551 1.6932 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5237 2.0942 -3.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 3.4892 -3.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 3.8954 -4.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 5.2895 -5.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3856 5.6881 -6.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 -1.4472 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -0.1978 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6581 0.6588 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.2398 -1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -0.4537 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 1.7503 -1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 2.4317 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 2.0550 -3.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 1.3510 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 3.5270 -3.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 4.2321 -2.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6462 3.8609 -4.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 3.1526 -5.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 5.3238 -5.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 6.0317 -4.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 4.9837 -7.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 6.6874 -7.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 5.6970 -6.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 -2.2589 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 -1.3920 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 -1.7290 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 -0.9362 -0.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 -0.5051 1.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 0.7628 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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. > 2015-07-10 > T999989683 > B3LYP/6-31G* > 0.0869 debye > -394.339686597 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 37.3344 0.0044 44.3347 0.0002 67.5057 0.0023 95.4784 0.0072 103.8598 0.0004 152.0827 0.0063 158.7663 0.0028 161.7615 0.0019 223.5431 0.0008 228.0066 0.0224 251.3891 0.0010 255.5518 0.0019 281.7483 0.0055 376.9910 0.0523 387.9745 0.1363 429.9250 0.1578 471.8469 0.1702 503.6054 0.1584 738.6725 4.6094 744.4453 0.0428 772.9671 1.0079 822.2967 0.2267 843.4500 0.6269 904.5395 1.4146 919.8515 0.8486 937.2428 1.3354 956.5016 0.5869 973.2165 0.1546 1005.3834 0.5866 1013.0453 0.3018 1037.2087 0.7777 1054.8604 0.2813 1070.0650 0.1349 1079.0190 0.4297 1080.4200 0.0723 1129.2924 1.2680 1168.1871 1.4165 1204.8163 4.6470 1216.7005 0.1722 1240.7396 0.6442 1261.5159 4.5099 1285.3567 0.8679 1309.8257 0.1909 1324.0236 0.9313 1341.9703 0.1889 1348.2470 1.6001 1350.1567 1.2069 1353.3910 0.2872 1380.9248 0.7845 1389.6384 3.8192 1409.5313 2.4799 1425.0060 1.4702 1426.2442 0.3021 1429.9124 4.0110 1440.5918 1.0389 1448.6092 3.3567 1508.5718 0.2238 1513.9671 0.0644 1515.0208 0.0391 1519.8269 0.3930 1520.3794 0.7694 1525.4860 1.0564 1529.7465 2.2137 1530.0902 4.3942 1535.3870 2.8411 1538.0310 1.4532 1541.2901 7.0059 1544.5217 5.5782 3001.3858 6.0322 3007.9337 11.0543 3010.2516 1.4442 3011.7438 1.7317 3015.8935 1.0862 3023.1643 23.5657 3028.1032 136.3453 3030.9461 1.6085 3034.0758 32.4010 3037.0041 15.4848 3040.1812 28.1772 3040.5944 5.6370 3041.1238 39.5127 3052.4692 3.8192 3066.4014 5.0222 3076.8805 159.9613 3095.8206 5.6941 3102.2936 74.3200 3105.7556 71.4584 3106.7124 54.3473 3110.2482 45.7125 3118.7573 42.3611 > 4.99891 GHz 0.29797 GHz 0.28865 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$