NIST 07131507233D 1 1.00000 -1314.12058 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 58 58 0 0 1 0 0 0 0 0999 V2000 4.5836 3.6835 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 2.3285 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 1.8388 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 2.7575 -1.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.9270 -2.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 4.9511 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8686 4.8623 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 4.1600 -3.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 5.1436 -4.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6841 3.1989 -4.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 3.3755 -5.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 2.1145 -6.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 3.4213 -6.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 4.6295 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 1.6456 -1.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 0.2174 -1.6453 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 0.8058 -2.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -0.8039 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0131 -0.8056 -3.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 -1.2436 -2.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 0.0479 -4.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 -2.0683 -3.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 2.2891 1.4308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 3.8990 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5902 3.5903 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5151 1.5771 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0726 0.8932 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2837 2.1789 -2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8553 3.0550 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 4.9038 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 5.9295 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 5.7925 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 4.8974 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 2.0606 -5.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 2.1236 -7.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2148 1.2151 -5.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3114 4.3081 -6.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5091 3.4374 -7.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 2.5307 -6.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6495 4.5783 -5.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 5.5313 -5.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 4.6954 -6.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1549 -0.0304 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4954 1.4735 -2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8769 1.3633 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 -1.7547 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 -1.0405 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2088 -0.2671 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1724 -1.8497 -3.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4834 -1.8535 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -0.3846 -2.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -0.5228 -5.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 0.3441 -4.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 0.9603 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -1.8209 -3.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8738 -2.7308 -2.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 -2.6507 -4.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 3.1014 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 1 1 0 0 0 0 2 26 1 1 0 0 0 2 23 1 0 0 0 0 3 27 1 6 0 0 0 3 2 1 0 0 0 0 4 29 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 33 1 0 0 0 0 7 1 1 0 0 0 0 7 32 1 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 36 1 0 0 0 0 12 34 1 0 0 0 0 12 11 1 0 0 0 0 13 37 1 0 0 0 0 13 11 1 0 0 0 0 13 39 1 0 0 0 0 14 11 1 0 0 0 0 14 41 1 0 0 0 0 14 40 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 17 16 1 0 0 0 0 18 48 1 0 0 0 0 18 47 1 0 0 0 0 19 16 1 0 0 0 0 19 20 1 0 0 0 0 20 51 1 0 0 0 0 20 50 1 0 0 0 0 21 54 1 0 0 0 0 21 19 1 0 0 0 0 22 19 1 0 0 0 0 22 56 1 0 0 0 0 23 58 1 0 0 0 0 25 1 1 0 0 0 0 28 4 1 0 0 0 0 30 6 1 0 0 0 0 31 6 1 0 0 0 0 35 12 1 0 0 0 0 38 13 1 0 0 0 0 42 14 1 0 0 0 0 43 17 1 0 0 0 0 44 17 1 0 0 0 0 46 18 1 0 0 0 0 49 20 1 0 0 0 0 52 21 1 0 0 0 0 53 21 1 0 0 0 0 55 22 1 0 0 0 0 57 22 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. > 2015-07-13 > R500299 > B3LYP/6-31G* > 1.3448 debye > -1314.12057668 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.1877 0.0446 26.3597 0.0585 42.8693 0.0362 43.8527 0.0408 50.8950 0.0487 59.7085 1.2548 69.8509 3.7937 99.7166 0.6800 107.2167 0.2041 123.3556 0.2517 140.4125 1.7505 146.3516 0.1648 148.6078 0.4779 154.2866 0.0350 165.8603 0.3613 188.2103 8.2653 198.5989 1.6043 208.6127 0.0218 211.5256 7.6971 220.1218 1.3828 225.5845 10.6456 245.4688 5.7255 248.3755 77.4956 253.3920 4.7669 261.6934 4.3835 274.6373 0.0697 278.3476 0.5416 290.3167 1.2752 298.5368 0.1283 302.2989 0.7619 304.6401 0.8690 325.5778 3.9693 334.9682 1.9874 350.1520 1.3464 355.0318 0.3197 360.6698 25.5923 395.6253 2.7290 399.2193 3.8457 405.6284 1.8769 424.7356 19.5019 434.8599 3.8249 457.8215 6.8172 460.8866 5.9759 475.1257 3.0187 519.8913 5.1614 533.6013 5.1738 568.7490 1.8853 642.2317 6.7526 656.8152 16.2697 690.2945 6.0650 714.1120 15.6571 747.1705 3.3625 759.2090 21.0104 768.9121 0.4076 777.5903 11.2142 800.5327 59.2005 825.3432 14.7046 827.5784 5.4177 831.9804 2.5707 853.0266 6.1930 869.5059 120.1664 877.8823 108.2999 889.9718 35.3991 913.8466 105.6263 932.2636 0.3067 934.9271 0.6531 953.1757 18.9597 956.5745 2.6733 957.5877 4.6411 976.4903 4.0567 977.7312 37.1055 980.9620 0.0605 1002.6869 31.5402 1032.6386 46.7251 1038.3638 8.7857 1048.7594 3.5522 1064.7348 0.3636 1071.8803 1.4219 1081.8533 33.2720 1113.7798 125.9270 1128.9554 47.4903 1135.4869 214.5613 1172.9461 118.2596 1200.0979 44.6026 1216.4036 281.7495 1223.7844 0.0612 1226.8208 2.1541 1247.3469 1.9633 1253.4677 47.9289 1264.9038 55.3812 1277.9665 17.8674 1281.2771 16.5143 1291.0507 22.6150 1314.3678 78.8296 1327.1658 32.2786 1329.8159 9.2667 1335.5815 30.9108 1359.7388 16.3575 1376.4314 39.0931 1396.0959 7.5063 1406.9994 77.9175 1417.4060 24.6443 1421.3360 25.8472 1422.4948 32.0922 1426.0942 3.4866 1427.4705 26.6677 1429.0752 1.4054 1438.6062 33.9241 1442.0295 75.9573 1450.5954 126.2726 1452.4788 70.8522 1459.7444 3.4455 1489.9120 1.8136 1491.7212 0.2122 1497.7873 6.0878 1499.9701 0.7443 1502.9143 4.3439 1503.5752 11.4168 1517.2511 0.9561 1517.9317 0.7455 1518.0889 1.9740 1520.6977 0.4587 1520.9713 2.9934 1521.8528 0.9667 1524.7737 14.2673 1534.6787 1.0929 1536.7453 10.3017 1538.8337 8.0274 1540.9441 0.1917 1542.2775 11.4780 1547.4476 13.6558 1558.0595 14.7410 1768.7561 335.0063 3013.6260 5.6435 3016.5923 10.8144 3017.6834 31.6441 3019.9616 25.1520 3025.5696 70.7389 3028.9087 81.4842 3044.7332 2.8657 3046.1513 21.4695 3049.7169 2.8126 3050.2922 11.0810 3055.7192 12.6100 3057.3305 19.9027 3065.2260 25.2688 3076.9318 45.0799 3079.0207 7.4913 3080.8472 23.0334 3082.9731 44.0683 3085.2456 60.5446 3094.2152 20.1630 3099.1837 36.5940 3102.4478 27.0379 3106.2661 42.6622 3115.6971 13.4111 3117.2025 14.0285 3118.9483 8.7162 3119.2356 29.7667 3120.5502 30.4851 3122.0566 9.4370 3129.0300 9.2978 3131.9639 38.0003 3135.4705 44.4238 3171.1356 4.5225 3180.8791 5.4396 3186.3753 4.2472 3746.9745 7.8405 > 0.26211 GHz 0.19905 GHz 0.13687 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$