NIST 07271509513D 1 1.00000 -2046.52672 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 76 80 0 0 0 0 0 0 0 0999 V2000 1.4658 4.4458 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 3.0290 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 1.9748 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 4.4408 -1.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 3.2963 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 2.7192 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 1.8571 0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 3.5697 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8769 2.5972 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 1.6883 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7839 2.7191 -2.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0602 3.4388 -3.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 3.4650 -3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 3.4132 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9873 3.7036 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 2.1467 -2.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 4.6772 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1529 1.6981 1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8352 0.9184 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 0.5240 2.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 2.6048 2.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 1.3590 -1.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8151 0.3600 -1.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 -0.6519 1.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 2.0498 -2.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 2.3563 -3.2089 Si 0 0 0 0 0 0 0 0 0 0 0 0 10.7595 0.8090 -4.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3668 3.8592 -4.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7764 2.5727 -1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 5.1852 -1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 6.5488 -0.2865 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 7.0458 -1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 6.1328 1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 7.9259 -0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 4.9323 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 3.0952 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 2.6874 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 4.3206 -2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 5.4142 -1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 3.4905 0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 0.8794 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 4.5957 -1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 1.0148 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 1.0836 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 2.8937 -4.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 4.4515 -3.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 4.2937 -3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 2.5514 -3.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 2.7943 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 4.3107 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9468 5.3426 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6244 4.8516 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 1.3788 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 0.4073 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 0.1525 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -1.4006 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -1.0136 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 -0.4922 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7351 0.8714 -4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 -0.0852 -3.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9974 0.6606 -5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3463 3.9790 -4.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1459 4.7970 -3.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6238 3.7396 -5.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6134 3.4474 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 1.6950 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7531 2.6887 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 7.9331 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 7.2771 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 6.2384 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 7.0129 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 5.7916 2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 5.3440 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 7.6342 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 8.2049 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 8.8256 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 9 8 1 0 7 18 1 0 3 2 1 0 6 3 1 0 3 19 1 0 4 5 1 0 18 20 1 0 6 5 1 0 18 21 2 0 2 1 1 0 3 22 1 0 22 16 1 0 8 13 1 0 23 22 2 0 20 24 1 0 9 10 1 0 11 10 1 0 12 11 1 0 13 12 1 0 11 25 1 0 1 4 1 0 25 26 1 0 9 14 1 0 26 27 1 0 6 7 1 0 26 28 1 0 11 15 1 0 26 29 1 0 15 14 1 0 1 30 1 0 9 7 1 0 30 31 1 0 5 16 1 0 31 32 1 0 5 8 1 0 31 33 1 0 15 17 2 0 31 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 4 38 1 0 4 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 17 51 1 0 17 52 1 0 19 53 1 0 19 54 1 0 19 55 1 0 24 56 1 0 24 57 1 0 24 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 28 62 1 0 28 63 1 0 28 64 1 0 29 65 1 0 29 66 1 0 29 67 1 0 32 68 1 0 32 69 1 0 32 70 1 0 33 71 1 0 33 72 1 0 33 73 1 0 34 74 1 0 34 75 1 0 34 76 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. > 2015-07-27 > R259708 > B3LYP/6-31G* > 2.3185 debye > -2046.52671931 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 7.2951 0.1772 14.0959 0.0134 23.4061 0.3082 30.6531 0.2227 32.8710 0.3503 39.0558 0.2740 56.2270 2.2586 62.4391 1.4210 72.1820 1.5944 88.2438 1.0330 96.8801 0.1278 103.6292 4.1853 111.5888 5.4483 128.7705 0.4213 132.3732 0.0110 133.6429 0.3262 135.6729 0.0447 142.2661 0.1531 150.7462 0.0161 152.0006 0.1606 154.6627 0.1978 156.2208 0.1655 169.5104 0.0868 169.6247 0.4929 175.1753 0.1984 177.4203 0.0925 188.7666 0.6336 191.5510 0.6102 195.0184 2.6124 204.7372 0.1848 210.5478 0.9953 216.0682 0.7025 223.8661 0.4931 225.1233 0.0476 229.9861 3.1616 243.0992 3.6974 260.4149 4.6178 265.3579 2.4905 275.2977 6.1463 283.3114 6.9024 296.5081 0.5039 298.9628 9.3151 311.3467 8.8536 322.8762 0.3897 345.0061 5.6804 367.2089 5.3195 383.4287 1.7483 404.4385 3.5322 424.2824 6.7885 437.2653 1.6974 455.9074 1.1307 464.4050 1.4611 481.1284 2.0015 494.1278 6.0987 522.3983 0.3149 526.4488 3.6592 546.4323 6.2819 567.5398 12.1277 584.8092 3.0084 594.5576 2.9148 599.3410 3.1602 613.7122 4.4099 620.9048 11.4276 629.2167 1.1975 675.9457 7.0265 681.1041 7.8909 683.5539 6.6099 688.0830 2.8159 688.9005 8.7282 696.6321 3.7384 698.3713 1.5303 698.4166 0.5838 707.9541 0.9861 726.9168 1.5291 752.8442 9.7631 754.6281 15.8386 776.0959 20.6494 783.9344 2.2750 785.3906 16.6745 786.2039 22.2509 793.2067 14.3272 795.3672 14.6007 808.9353 4.0888 839.4076 1.8357 860.8393 9.4299 868.8614 6.4716 878.9944 21.0957 883.3020 74.7921 885.5252 71.5693 885.9580 48.9429 887.2963 95.9990 888.5791 65.6348 893.7490 12.7798 913.0580 244.4550 919.3645 47.9462 921.0426 196.9149 931.2905 17.9967 935.5997 27.4011 942.4743 83.7263 958.3295 46.0570 970.9296 73.3209 981.8613 10.0048 992.9711 19.1297 996.4585 1.7175 1024.5335 15.9202 1041.0908 19.6610 1060.2733 43.6130 1070.8272 8.4184 1084.7259 98.2805 1087.5642 22.2456 1096.5769 32.2421 1105.6944 55.7215 1116.0255 412.8881 1134.4798 7.4182 1142.0447 2.2673 1146.8107 89.7659 1161.7341 5.7189 1166.3094 85.2930 1170.9317 403.9183 1174.1394 67.1408 1177.4478 0.8561 1189.8849 12.7014 1212.3862 33.6593 1217.2999 17.5342 1227.4846 23.1385 1235.5258 18.3798 1243.1165 129.6163 1246.9325 32.8356 1260.0014 24.0385 1276.5754 4.4363 1285.5280 16.4685 1294.1027 8.0326 1311.2931 33.2108 1313.9829 21.3007 1317.9352 12.5392 1329.1804 6.0561 1330.0459 34.0065 1330.6981 80.9714 1332.2372 51.9354 1333.4448 30.4391 1340.8090 51.7734 1341.1532 12.3747 1342.9286 9.2699 1351.1889 1.4628 1363.4355 6.4411 1375.5895 13.4065 1378.0501 17.7073 1378.8930 17.9900 1399.4865 22.9960 1411.5657 5.6474 1427.6622 56.0025 1435.7365 5.6676 1440.0113 29.3760 1471.3251 2.7551 1485.2278 0.5772 1486.0569 0.1766 1488.9503 0.4078 1490.7696 0.3886 1490.8239 0.9046 1492.8729 0.2821 1497.8576 2.3096 1498.3626 2.5552 1500.2681 6.2542 1500.4292 4.0531 1506.1868 3.2697 1507.4234 10.2432 1507.4838 7.9188 1509.6414 5.7347 1510.3513 2.8728 1516.4183 4.5044 1517.0672 2.4317 1521.6203 5.2380 1525.5128 14.0181 1528.7754 3.8480 1529.8527 2.0258 1532.9892 2.9049 1553.8484 3.4795 1740.2636 6.1683 1821.5956 185.4895 1872.5860 341.3801 2997.4638 19.2650 3038.4037 3.9755 3039.9014 11.6242 3040.4400 4.9689 3040.6751 7.7286 3041.9723 5.1283 3042.5426 4.6482 3045.2873 6.0806 3048.2879 3.4947 3057.4426 14.8222 3058.8283 35.5514 3060.8015 24.1380 3061.7037 15.8194 3066.4527 44.6867 3068.7642 18.7860 3071.1110 19.0292 3094.3342 10.3900 3101.1212 3.5838 3102.4148 8.7151 3106.2490 0.1780 3107.2827 10.9731 3109.4048 44.7873 3110.1120 7.1476 3111.7127 5.5553 3115.5252 44.3323 3116.3275 17.7757 3116.6112 6.7593 3116.8922 9.2495 3117.9747 5.8075 3120.6184 26.0426 3121.4014 13.3716 3121.8367 5.2874 3123.5509 7.8314 3125.0118 35.4984 3126.4104 39.4741 3127.4257 12.4995 3129.0423 19.2639 3134.9638 11.6441 3140.0157 23.6811 3165.0465 10.2658 3168.8240 19.5895 3240.8153 14.6710 > 0.18555 GHz 0.05791 GHz 0.05198 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$