NIST 06251407063D 1 1.00000 -1147.66688 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 26 0 0 0 0 0 0 0 0999 V2000 -0.0095 -0.8646 -0.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 0.3853 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6387 0.7839 0.6756 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -0.2167 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 -1.2599 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 0.0087 1.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 2.0622 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 1.2264 -0.6237 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -0.9248 1.7393 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.6324 -2.6072 2.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 -1.0793 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1123 0.0784 2.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 -1.4001 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.2204 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.9094 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 2.6254 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 2.6098 1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -3.2080 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 -2.4986 3.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -3.1813 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 -1.7006 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -0.0963 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 -1.5336 -0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5938 0.2033 3.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 -0.4147 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 1.0763 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 3 7 1 0 2 8 2 0 6 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 1 5 1 0 5 4 2 0 4 3 1 0 3 2 1 0 1 2 1 0 1 13 1 0 5 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 10 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 11 23 1 0 12 24 1 0 12 25 1 0 12 26 1 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. > 2014-06-25 > R525401 > B3LYP/6-31G* > 7.7297 debye > -1147.66688453 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.4123 0.4555 43.4984 0.0203 63.4405 0.0053 77.7780 0.6383 114.4174 0.6668 121.2443 1.7574 133.6518 0.2222 142.8420 0.0058 171.2593 0.3750 180.8497 0.0234 192.0978 1.5721 211.7306 5.6827 242.0938 0.5682 255.5756 2.5923 266.1124 8.8460 298.9879 5.3761 326.9874 17.4702 445.1522 26.5779 500.0027 62.3814 571.7846 7.9243 586.1028 4.6565 600.4139 21.9170 638.7888 8.6504 654.3404 26.9621 681.1822 2.7464 696.3894 7.5365 703.2145 4.1376 704.6421 0.2439 738.8522 7.8269 784.0660 27.3381 792.9119 18.7238 852.6778 26.6934 892.4074 113.2785 893.3999 93.7231 909.4077 446.2767 985.7555 57.7999 1082.9311 25.3588 1151.6105 161.6655 1169.4261 0.5983 1230.0325 1.5654 1245.5102 182.9635 1325.7244 5.5195 1336.3561 43.5909 1336.7625 43.5784 1345.8607 23.4015 1376.7244 237.0629 1430.4448 36.1294 1482.0921 0.2232 1487.5853 2.4165 1488.6178 155.3967 1489.6506 0.0963 1495.0467 2.3263 1496.4222 2.7211 1507.4291 10.7153 1515.2113 61.1960 1520.2808 8.3047 1538.8597 74.4732 1686.1484 328.9459 3047.8667 2.5334 3049.0153 2.4759 3050.9960 2.1913 3069.6733 39.4457 3118.0227 4.4211 3120.0449 5.1210 3123.0865 26.1859 3127.8239 1.9112 3128.6530 18.0402 3130.3620 10.2925 3136.2199 18.2516 3174.1260 0.1605 3320.8172 5.6536 3676.5018 82.2426 > 1.63738 GHz 0.34589 GHz 0.31562 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$