NIST 07281410303D 1 1.00000 -909.38358 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 35 35 0 0 0 0 0 0 0 1 V2000 8.4817 3.1649 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 3.4196 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 2.2510 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.8420 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 0.3412 -2.0865 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.9907 0.9886 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 1.2370 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 0.1445 0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 1.0535 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 2.1467 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 0.0383 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 1.0205 -2.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -2.5428 -3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2665 -2.1752 -3.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -1.3198 -2.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 4.0284 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0664 2.2899 -1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1082 2.9769 -2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7758 4.3192 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7269 3.6344 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6233 0.5070 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 0.4027 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 1.9315 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 0.7456 -4.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 0.5723 -3.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9032 2.0800 -3.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3694 1.3060 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -0.6386 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 2.9181 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -0.8225 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 -3.2358 -3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -1.6534 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -3.0289 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -3.0772 -3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 -1.7068 -4.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 5 1 0 5 6 1 0 5 12 1 0 5 15 1 0 9 12 1 0 13 14 1 0 14 15 1 0 3 7 1 0 7 8 2 0 8 11 1 0 11 9 2 0 9 10 1 0 3 10 2 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 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. > 2014-07-28 > U347461 > B3LYP/6-31G* > 0.7769 debye > -909.383584748 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.3155 0.0947 21.7081 0.1060 28.3771 0.0660 48.9995 0.3521 72.7320 1.8066 82.7724 1.4884 120.6768 0.0752 130.8545 0.4185 137.1140 1.4248 158.8859 0.6040 185.4053 1.5284 192.0664 0.5164 196.1251 2.3210 218.3566 0.4067 253.3905 2.6311 264.3007 2.4661 284.5474 3.3438 317.8254 1.5694 336.0749 6.9185 354.9577 15.1044 413.1425 0.2743 447.3661 30.0560 471.7157 0.8311 525.9072 0.0826 534.0584 6.6443 619.3584 4.5944 639.6074 0.8720 703.4672 3.8092 712.1440 2.6776 719.3480 11.1073 731.6034 23.1347 783.5684 1.8236 791.2289 5.6134 799.2419 2.1663 804.6342 23.5593 816.9183 7.1566 827.7456 117.4292 884.0651 81.3345 886.0241 187.6327 892.1171 18.2769 903.7145 14.8379 952.5418 76.9494 961.1690 202.4349 967.5523 2.8263 1010.7962 81.8617 1017.4103 22.7807 1085.2141 15.1757 1094.3555 2.9494 1102.3455 137.4067 1131.5626 5.5224 1145.0464 189.9322 1192.6192 88.5193 1202.9393 1.5950 1208.8763 44.0607 1281.5136 9.2164 1306.7971 239.7675 1333.1571 21.5969 1336.6220 5.3312 1338.3085 27.9048 1341.9258 59.0335 1359.7655 1.0675 1371.9401 16.0060 1421.5688 5.0908 1435.4183 1.5890 1445.3518 21.8805 1489.0783 5.1110 1491.4480 3.5338 1493.6894 41.3268 1496.5429 6.7394 1503.4225 7.5176 1517.3231 6.0591 1517.8076 2.0688 1525.8093 6.6961 1527.1174 2.5183 1535.4905 70.6554 1539.8426 18.7821 1553.9704 1.3010 1637.9929 54.7301 1663.7450 99.4078 3026.7942 53.4584 3043.4848 32.1561 3047.6190 35.7792 3052.4201 3.6591 3054.0468 15.8979 3055.2724 2.0331 3075.0557 39.2854 3077.5998 10.8310 3116.2360 50.1893 3122.3623 33.5083 3122.4532 40.0544 3125.4562 2.1790 3128.0809 16.3881 3128.4496 17.2682 3136.3974 10.6752 3137.9555 31.3674 3176.3031 7.6626 3192.7071 33.4568 3194.8804 3.2286 3216.5217 5.4210 > 0.90458 GHz 0.26963 GHz 0.25480 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$