NIST 06291416103D 1 1.00000 -674.58341 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 35.0116 30.0310 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5524 29.0261 -0.0289 S 0 0 0 0 0 0 0 0 0 0 0 0 35.3009 31.5416 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8143 27.3436 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0628 32.0224 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9819 32.3139 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9091 26.2761 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3324 24.8556 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4656 29.7770 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 34.3809 29.7531 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9223 31.7404 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 35.1327 27.2572 0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2233 27.2090 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2650 33.0981 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 37.0194 31.5037 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4730 31.8448 -2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1670 33.3929 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4530 32.0174 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3110 32.1348 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5948 26.3936 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5044 26.4387 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1317 24.1082 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 35.6688 24.6982 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7529 24.6568 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 4 1 0 3 5 1 0 3 6 1 0 4 7 1 0 7 8 1 0 1 9 1 0 1 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 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. > 2014-06-29 > 1741-84-0 > B3LYP/6-31G* > 1.5325 debye > -674.583407347 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 28.0582 0.5683 48.1892 0.0429 79.6138 0.1407 104.3191 1.9865 117.1189 0.1148 210.5282 0.7324 221.9096 0.1100 241.8253 0.2550 246.9428 0.0021 260.1275 0.5046 335.4405 0.0656 370.3493 0.1105 415.0088 0.4223 429.1133 0.3040 746.4521 4.9020 758.5959 3.7511 772.1101 1.0480 824.7547 1.1142 875.2729 0.4465 894.6539 1.8083 913.2685 2.9861 943.4818 2.1180 966.1626 1.9431 977.9921 0.1351 1050.7069 0.1330 1077.5076 0.6007 1099.1138 2.6881 1114.4260 3.6706 1147.5190 4.5986 1203.6693 9.4116 1250.5589 4.4814 1259.2001 0.2925 1272.9113 40.5626 1303.7862 11.0035 1337.6913 0.2029 1377.6523 1.0101 1388.7151 2.7344 1397.3787 2.4702 1428.3316 4.8415 1440.2376 1.4460 1447.5412 6.2433 1505.8204 9.8223 1515.7436 4.4031 1518.6529 1.2655 1523.9446 0.2883 1525.3337 1.5982 1529.8390 6.4504 1533.2202 6.0535 1538.3227 8.0766 1539.5573 3.3111 3028.4915 3.0941 3034.8677 12.9517 3037.3850 5.3389 3038.2188 40.1537 3044.4231 34.2459 3045.3314 32.5351 3050.5981 45.1004 3071.8754 1.2607 3082.6260 19.4284 3091.2735 5.4446 3101.1069 7.3563 3107.8663 66.9825 3112.7650 46.1923 3114.1461 64.7333 3116.6112 38.6578 3127.9273 28.8905 > 4.96048 GHz 0.56818 GHz 0.53458 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$