NIST 07021513123D 1 1.00000 -1238.44698 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 40 39 0 0 0 0 0 0 0 0999 V2000 2.6162 1.7395 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 0.3059 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6247 2.3437 -0.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8048 2.3730 0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 4.0743 -0.2764 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 5.0086 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 4.4676 0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4972 4.4414 -2.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 -0.4298 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 -1.8604 1.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.3183 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8475 0.0534 0.9552 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2873 -0.1883 0.0975 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.5159 0.9555 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8666 -1.9797 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0205 0.2262 -1.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 6.0917 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 4.7660 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 4.7583 1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 5.5383 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 3.9209 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 4.2122 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 3.8689 -2.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 4.1864 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 5.5056 -2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3995 -2.1183 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7996 -2.5640 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 -2.0146 2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 0.3490 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -1.2871 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4727 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5050 0.8846 0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1869 1.9976 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 0.6958 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8589 -2.0941 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -2.6865 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 -2.2840 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6929 1.2632 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 0.0852 -2.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 -0.4177 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 2 9 2 0 9 10 1 0 2 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 6 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 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. > 2015-07-02 > R51389 > B3LYP/6-31G* > 3.0443 debye > -1238.44698268 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 19.8617 0.6685 26.0482 0.0623 42.0049 0.9610 50.1498 1.3553 66.4154 0.6228 81.8156 0.3721 91.1397 0.8604 97.9495 0.6202 102.6370 0.5283 116.0869 0.2567 131.9859 0.2247 135.9482 0.0902 141.4017 0.3042 147.2907 0.0468 153.4553 0.1176 164.7455 0.0921 171.2893 0.1951 180.7397 0.9067 185.6932 0.0980 194.4350 0.7523 201.3825 0.1377 214.9410 0.8947 230.2033 0.2585 243.4420 6.0886 254.6075 7.6630 270.1732 27.3900 279.3640 7.8891 323.6556 2.3651 352.5843 5.6200 383.4285 5.5975 419.0190 0.8167 507.2438 4.6584 561.0504 13.0819 578.5673 3.9109 600.1940 5.1453 615.2084 1.7093 685.4018 6.7746 695.1183 6.5256 698.0039 0.1825 700.4855 7.9423 701.2739 4.4156 713.2980 0.0918 721.6821 22.4564 756.4806 57.3517 775.9838 13.1157 779.5080 20.5771 782.2673 2.3933 791.6404 15.2628 802.9998 39.7877 834.8233 22.9870 886.0373 107.3837 888.5714 222.7541 891.1576 50.0578 895.8479 96.5672 896.7889 191.0295 916.8647 356.8515 970.3933 39.5345 1047.3557 55.0326 1057.8910 7.1717 1083.0695 2.5833 1125.6904 50.3127 1168.7649 232.1849 1236.0454 308.7256 1326.0231 47.0241 1327.5289 36.1995 1328.0710 27.3688 1330.7742 35.9001 1335.0032 53.6922 1340.1015 31.3145 1379.0058 404.6301 1433.1082 23.7836 1441.5680 56.8885 1481.7659 0.0418 1482.0632 0.3560 1487.3446 5.3926 1489.5983 0.2446 1492.2306 1.5298 1493.2069 13.0490 1494.3553 2.3624 1495.0609 4.3166 1497.6906 0.1557 1501.3049 7.4796 1503.7731 10.3708 1509.8754 1.3018 1512.1864 17.7506 1514.1210 17.7953 1528.8374 7.0794 1541.5056 3.6995 1673.2009 246.2122 1724.9484 315.8864 3040.4649 35.5538 3041.7659 1.3001 3043.4710 3.1973 3045.4045 7.1629 3046.4204 17.5760 3046.9356 7.9541 3047.7782 6.8865 3051.4644 6.2076 3097.5228 27.5661 3109.2865 6.7089 3109.9473 5.8729 3111.6140 4.0867 3112.5674 7.5241 3113.3327 17.5989 3114.9430 48.0826 3119.0101 16.5774 3123.3560 4.2241 3123.4544 28.1501 3139.8080 8.3704 3143.8709 7.2829 3150.9599 2.7557 3152.4784 6.9478 3166.8229 15.2699 3173.3792 0.9744 > 0.53910 GHz 0.31159 GHz 0.23051 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$