NIST 07271514463D 1 1.00000 -1188.16936 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 62 61 0 0 0 0 0 0 0 0999 V2000 -4.7697 2.0617 -3.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9598 1.1522 -3.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 0.9505 -4.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 -3.2351 -3.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 -2.5898 -1.5098 Si 0 0 0 0 0 0 0 0 0 0 0 0 -7.2927 -3.9051 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5849 0.6108 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7930 -0.2848 -2.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 -1.3526 -1.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3468 -0.6432 3.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2569 -1.5898 3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 -0.8922 2.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -1.8308 2.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 -2.7262 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -1.9893 -0.8813 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8589 -1.8060 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 -2.5194 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4181 -1.5916 0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -2.2970 0.7784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.3646 1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3694 -2.0670 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -1.1309 2.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8866 1.6719 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9619 3.0611 -3.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5136 2.1768 -2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4964 0.6379 -5.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1514 0.2074 -5.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7176 1.8933 -5.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -2.4557 -3.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5918 -4.0772 -3.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2317 -3.5877 -3.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5294 -3.4747 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 -4.7339 -0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2170 -4.3240 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 0.8354 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6808 0.2849 -2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0048 -0.6884 -3.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2946 -1.1706 3.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5326 0.1703 2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0572 -0.1861 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1183 -2.4119 3.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5906 -2.0575 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 -0.0679 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -0.4245 3.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 -2.6553 3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -2.2976 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -3.5726 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6303 -3.1459 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 -0.9664 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 -1.3770 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -3.3584 0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -2.9653 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -0.7565 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -1.1398 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 -3.1286 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2581 -2.7542 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -0.5351 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -0.9042 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -2.8942 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.5303 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.3048 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 -0.6660 2.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 22 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 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. > 2015-07-27 > U347971 > B3LYP/6-31G* > 1.8350 debye > -1188.16936399 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.0678 0.1228 16.4172 0.0282 20.6478 0.0291 27.0617 0.3036 35.0155 0.2529 35.9175 0.0606 41.0586 0.0910 55.5423 0.6342 59.7058 0.4954 62.0391 0.0492 87.6834 0.6301 97.1835 0.0600 98.6377 0.0005 112.6843 0.2270 122.3703 0.2305 129.2689 0.3365 132.9216 1.1028 138.0164 0.0052 143.3242 0.4360 147.0890 0.0142 154.3208 0.1871 155.4608 0.1276 169.0002 0.0032 174.1912 0.7535 175.9984 0.1770 186.9819 0.2254 205.2396 0.1082 223.7810 3.7633 238.8386 4.3528 250.0053 0.0033 262.3651 4.5110 269.2299 1.9228 288.7383 2.1158 315.1626 10.7539 337.9921 8.0581 358.3039 5.3071 377.5451 7.3999 426.7683 2.0091 436.9386 3.8455 444.1333 5.5296 500.6160 1.9450 506.0463 0.0646 507.7866 2.6587 511.3437 8.1991 615.0254 1.1318 692.2084 5.1027 739.1662 4.6354 739.6440 1.2464 743.8014 2.0852 746.7675 18.5053 755.3334 0.0237 767.0825 0.3239 777.9198 0.9627 785.9148 21.8422 796.7030 5.1890 811.7230 56.2513 814.3176 67.2135 858.5760 0.0510 864.0751 25.1307 892.0671 147.7841 901.7436 190.1777 905.0342 5.7411 912.7817 0.6361 969.8321 0.0070 974.0477 0.2478 991.3638 4.8690 1000.3375 0.6687 1006.0475 8.2275 1022.2243 8.4331 1023.7719 0.7105 1028.9792 7.9533 1045.6010 1.7526 1055.0899 8.7174 1061.3608 27.3813 1066.8272 0.0085 1069.9265 6.3648 1072.2749 2.3480 1074.4701 0.0065 1076.4194 0.5314 1104.9120 497.3007 1114.1128 28.9255 1117.6485 0.3706 1130.5264 248.6952 1150.7033 67.2696 1152.5739 0.2120 1206.1151 0.8962 1226.0555 0.0541 1230.8123 4.7630 1238.3039 3.4158 1250.9746 0.1973 1270.2647 1.1834 1279.7686 0.0654 1300.6115 11.4133 1303.0695 0.7628 1307.7872 0.0634 1329.9202 31.5074 1331.8252 12.1523 1335.4933 38.8537 1336.3930 1.8912 1337.1364 2.1152 1341.3556 0.0127 1348.2281 0.0418 1349.2289 0.0852 1356.5171 0.1028 1357.3163 0.0226 1368.6865 1.9368 1374.2090 6.1794 1396.3275 0.0476 1416.8570 2.4964 1426.5022 0.3444 1428.3499 0.9616 1428.7619 11.2234 1429.5829 0.9583 1439.1627 5.2150 1441.9168 1.0021 1449.0743 30.5064 1450.5195 3.6023 1489.4551 0.8196 1492.8062 0.2291 1499.5604 5.9368 1501.5521 0.9637 1503.1243 4.6464 1513.6822 0.0229 1513.8314 0.0134 1516.0061 3.9163 1516.2773 0.1320 1516.8714 0.0107 1518.9883 0.4889 1520.1071 14.1947 1522.0760 0.4940 1524.9177 7.5680 1526.9474 0.8491 1529.9679 5.7047 1532.5761 0.1156 1535.5862 1.7859 1538.1892 1.5870 1542.9548 0.0293 1546.3051 5.1910 1552.1561 3.4923 1751.6273 11.5355 2987.5032 38.6534 3010.0371 0.9040 3010.3491 0.3254 3012.2007 0.4369 3012.8007 2.3190 3014.9551 3.5103 3016.5912 4.2201 3018.3294 29.7425 3022.0080 0.4028 3023.8730 19.9975 3026.9494 19.2410 3028.3022 52.0197 3029.9052 223.0816 3031.3090 1.7426 3032.1051 0.9921 3033.0419 56.9931 3034.2146 1.2059 3037.7401 1.2058 3041.4570 43.9248 3044.0412 21.8545 3044.1789 19.0900 3044.4367 15.9844 3047.5949 5.9846 3053.3869 0.0827 3061.0933 38.6743 3062.6575 5.5589 3067.7400 12.7091 3070.9043 1.1527 3073.7424 39.0172 3077.5766 194.8491 3089.7386 111.0353 3106.1343 70.5128 3110.5005 45.8824 3112.6753 8.0493 3117.5598 28.5514 3122.4195 15.4283 3127.6335 20.2500 3128.2894 11.9729 3137.0073 26.3103 3168.1484 14.3946 > 0.47835 GHz 0.04322 GHz 0.04064 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$