NIST 06191512513D 1 1.00000 -1657.61381 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 58 59 0 0 0 0 0 0 0 0999 V2000 2.6167 2.4318 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2094 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 0.0128 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 2.4500 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8331 1.2390 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5435 0.0292 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.0158 0.9915 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3841 -0.4322 1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 0.9207 1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4702 1.9085 1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 2.4711 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 3.6893 0.6572 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 4.9162 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2467 6.0925 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 5.0764 0.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 3.5447 -0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -2.7492 1.0632 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.2107 -3.6435 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -2.9505 2.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 -3.4026 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 4.7868 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 1.1683 -1.3076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 2.0176 -1.1390 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.1603 3.2682 -2.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 2.8208 0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 0.6914 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 -0.8937 -0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 3.3746 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -1.0479 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2036 1.4560 2.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 2.7572 2.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 2.7146 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 1.7219 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 3.6127 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2881 5.8140 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 6.5886 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 6.8178 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 -3.2877 2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1515 -3.5350 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -4.7159 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -2.3741 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -2.6069 3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -4.0024 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2168 -2.8514 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 -4.4605 -0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -3.3175 -1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 5.5268 -1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 4.7622 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 5.0631 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1408 3.7599 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 2.7738 -3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3845 4.0372 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1086 3.2524 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 2.0874 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3732 3.6204 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 0.1560 -2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3126 1.1303 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2498 -0.0493 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 2 22 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 6 5 2 0 0 0 0 7 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 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. > 2015-06-19 > R528975 > B3LYP/6-31G* > 4.5475 debye > -1657.61380619 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 13.9954 1.0299 24.2939 0.8432 28.1024 1.1698 30.5186 0.3347 43.7601 0.3352 46.7675 1.5050 51.8690 5.0729 57.6147 7.0043 65.0684 0.6603 75.5781 3.1079 83.8979 2.8793 90.2353 1.2471 109.0213 0.0213 123.4080 0.1991 125.6442 0.0619 136.2093 0.4090 140.7484 0.9727 146.3484 0.5281 157.0842 0.4257 157.4359 0.2581 158.7216 0.0634 170.9154 0.5868 175.1138 0.0285 183.1253 1.2890 191.6837 0.1085 195.3178 0.2254 197.1415 0.1536 206.7169 0.8802 223.6288 0.6540 236.3816 2.2983 250.1604 0.9140 260.0896 5.6352 265.5028 4.2551 267.9095 4.8394 290.9443 8.0518 298.8280 7.4573 323.8041 8.1331 338.6323 8.4778 384.2540 2.5049 408.6795 22.8578 419.6442 83.3847 426.3824 14.3772 431.6463 6.4034 463.7762 11.7984 470.0077 10.5105 489.3556 0.7592 532.9401 4.4364 588.7210 1.4878 615.8185 7.0958 620.1797 17.2175 627.6662 16.1526 637.9907 3.5012 650.2235 13.5743 684.9283 9.5260 690.1960 3.1983 692.6574 11.0722 694.6157 7.0325 695.8092 2.3540 696.5212 3.5274 699.0465 1.5029 706.5516 0.0098 734.3652 3.4169 756.5436 0.4054 768.3567 6.0461 782.0802 15.4569 782.4188 20.2393 787.2112 12.9958 788.3909 21.8845 792.6574 19.5970 801.6085 15.2219 850.5208 13.9557 882.4113 137.8277 883.7827 63.1926 887.7935 27.7234 889.3775 139.0574 890.9202 59.6147 891.7041 150.0652 904.8317 68.4872 906.0902 154.8280 919.5532 274.6874 964.0793 265.0248 1004.4455 6.6016 1024.5203 3.4636 1064.6316 96.9597 1066.3755 11.1693 1072.5026 4.6415 1107.5484 11.7576 1120.0116 2.0358 1164.4555 152.6791 1180.9445 1.3466 1213.9358 157.8306 1231.8965 29.3757 1236.6724 135.0362 1243.9087 96.7031 1269.7638 167.8178 1286.2043 94.1644 1303.5887 107.4497 1321.9781 40.5258 1325.7211 36.2301 1329.2991 38.3325 1331.6761 47.3068 1333.7220 37.9610 1334.6175 50.9135 1341.4261 10.3654 1346.7445 63.0525 1361.2210 62.7391 1384.1786 67.0571 1393.4467 96.9930 1420.6529 11.6178 1428.9038 14.8541 1482.7045 33.3717 1483.2201 0.3285 1484.6685 0.3353 1490.5246 0.1813 1491.4168 0.9478 1491.8346 1.1178 1493.1903 1.1202 1495.1138 1.6554 1497.4492 6.6075 1499.7583 2.7586 1500.3918 7.2837 1500.5946 0.3551 1501.6622 3.4680 1509.0625 4.4025 1511.2347 9.3174 1514.7410 55.9850 1515.5618 26.6076 1516.9450 4.7912 1518.3957 14.3599 1529.9723 311.3866 1536.2056 36.5363 1557.4937 191.0097 1601.5448 70.6244 1630.6720 16.9288 1672.5477 9.3017 1767.7492 201.7995 3035.6052 45.0695 3038.0359 43.5492 3040.5354 4.7609 3045.1229 7.3268 3045.8090 4.3281 3046.5752 3.1039 3047.1351 11.0122 3048.4748 6.9317 3064.0712 11.9681 3071.9449 10.2793 3085.5895 40.3003 3097.5419 29.4037 3109.9526 0.9779 3111.3221 3.8894 3113.9900 51.7311 3115.3169 0.0661 3115.8232 2.8546 3118.5007 43.9704 3118.9340 18.4815 3126.1969 11.2813 3128.6516 9.2095 3132.1586 12.3947 3137.8998 16.4964 3142.3938 9.0842 3142.5117 7.1382 3146.2428 13.9115 3151.3658 9.3810 3152.5692 32.0905 3217.1029 6.5117 3219.2942 10.7308 3262.4146 3.1436 3630.3929 16.5671 > 0.16336 GHz 0.12708 GHz 0.07564 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$