NIST 07141514473D 1 1.00000 -1562.60074 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 63 67 0 0 0 0 0 0 0 0999 V2000 0.5194 4.9326 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 3.5573 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 2.3514 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 4.9113 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 3.6149 -1.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 2.8873 0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 1.8443 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 3.7032 -1.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 2.4961 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 1.5440 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 2.4461 -2.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 3.5185 -3.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3137 3.7586 -2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 3.0028 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 3.1192 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 2.6476 -2.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1368 3.6694 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 1.4884 1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 1.2211 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 0.2132 1.8947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9322 2.3198 2.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 1.9029 -1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 1.0530 -1.9552 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 -0.8808 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5037 1.7809 -2.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 0.4757 -3.9414 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.4188 0.4404 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1517 -1.1455 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 0.6837 -5.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 5.6630 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 5.2927 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 3.5741 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 3.3672 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 4.9817 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 5.7853 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 3.5537 1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 0.9512 -0.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 4.6287 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 0.6887 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 1.1643 -2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9495 3.1757 -4.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 4.4461 -3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 4.7242 -3.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 3.0006 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 3.9307 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 2.2573 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 4.1364 0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8619 3.6504 -1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 1.5584 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 0.8842 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 0.3507 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4612 -1.7507 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -1.0549 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 -0.7383 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 -0.3934 -5.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 1.3681 -4.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0679 0.3267 -3.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3874 -1.9981 -3.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 -1.2078 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7184 -1.2734 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7745 1.5839 -6.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 -0.1760 -6.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 0.7452 -5.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 11 15 1 0 15 14 1 0 9 7 1 0 5 16 1 0 5 8 1 0 15 17 2 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 25 1 0 11 10 1 0 25 26 1 0 12 11 1 0 13 12 1 0 26 27 1 0 1 4 1 0 26 28 1 0 9 14 1 0 26 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 10 39 1 0 10 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 17 47 1 0 17 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 24 52 1 0 24 53 1 0 24 54 1 0 27 55 1 0 27 56 1 0 27 57 1 0 28 58 1 0 28 59 1 0 28 60 1 0 29 61 1 0 29 62 1 0 29 63 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. > 2015-07-14 > R178713 > B3LYP/6-31G* > 1.0482 debye > -1562.60073666 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.7940 0.2447 19.4220 0.0585 39.3928 0.3162 55.5547 3.2458 65.3747 2.0753 72.1045 0.2239 80.1541 2.0101 105.4316 6.0149 111.0064 2.8086 120.6790 1.0588 137.8915 0.0031 141.1749 0.2886 144.7035 0.3112 159.4533 0.0105 164.9041 0.0889 177.8994 1.3608 183.0816 0.5662 188.3517 0.1635 188.9330 0.9551 193.3155 0.5143 205.2499 0.9658 211.2704 1.1599 220.9465 0.1306 221.6597 1.1368 230.9143 0.8018 250.1344 2.9300 260.0690 0.0635 274.4908 4.7484 277.6144 4.6244 297.3226 1.3421 304.3841 3.1521 315.6047 3.7612 346.7008 4.4651 373.8121 5.4891 390.1302 1.2594 410.5676 3.7726 431.7664 1.4291 454.3593 3.8672 462.0230 3.2819 481.0352 1.9288 492.7569 0.2797 520.9277 4.4010 532.2284 2.0760 550.3322 4.4876 561.7901 9.3867 583.1602 4.0356 600.7795 6.9344 605.9010 4.5726 618.0333 3.4549 620.6957 6.4352 659.6630 1.4397 680.4076 8.3632 687.9115 2.7207 693.2270 6.6773 698.0501 0.2254 714.9798 2.1454 729.5076 0.1464 742.3548 10.4683 757.4147 0.9627 779.2090 22.1204 781.2168 0.9645 789.8263 22.3324 798.7012 5.3134 813.6742 2.5704 857.5851 8.1612 861.3037 0.8519 870.4310 7.4737 875.9016 1.7793 882.9228 85.6572 887.1285 39.2063 887.9659 80.8868 903.5253 13.7801 912.3230 126.0464 921.3732 20.8426 929.5540 23.6515 933.7988 24.4114 950.0412 59.2529 952.2851 5.6120 967.5434 90.8838 984.3464 22.9708 995.9892 4.1489 996.9437 14.0022 1029.2162 13.3010 1041.1264 13.2646 1055.3262 29.9445 1061.6156 1.3491 1071.8820 22.1022 1086.6785 30.1316 1093.9729 41.8866 1107.2570 28.5224 1126.0196 7.4213 1135.6932 22.9030 1143.5531 8.8836 1157.0919 98.0213 1161.2353 247.9548 1165.5023 184.6818 1172.9566 27.9462 1177.0441 0.3549 1187.8439 1.5847 1208.8722 34.0490 1212.7155 11.8566 1226.0753 13.1837 1235.0745 20.0751 1242.8593 106.4260 1247.1851 31.8647 1257.0246 10.2175 1270.6393 4.0044 1280.9872 12.5832 1290.4837 45.0576 1311.1817 23.9429 1314.5225 15.0273 1315.6008 36.2437 1325.8838 32.7755 1328.5977 34.5564 1329.4181 38.3855 1337.0407 22.2581 1338.2868 25.0799 1354.6488 6.7895 1359.0598 12.2480 1377.0398 1.8127 1378.9207 13.4199 1383.6160 16.7858 1393.5011 6.4787 1402.1385 8.9055 1415.6972 4.4004 1428.6214 34.3853 1440.6997 4.9264 1460.9320 5.9031 1485.9967 0.3763 1490.8755 1.0067 1491.2851 0.7099 1498.1729 1.8787 1499.8975 4.8490 1503.3387 1.8679 1506.8569 8.1179 1509.0003 12.5394 1512.4186 1.9690 1516.5904 4.1773 1521.0707 3.9903 1523.0607 9.3874 1524.2604 8.0972 1526.7075 5.2635 1529.1008 2.6457 1533.0914 1.8916 1543.0947 4.0681 1551.6523 2.5513 1745.9406 5.8854 1823.2335 194.7301 1870.0886 325.5394 3038.1601 10.6937 3039.1292 4.1831 3041.0087 4.1339 3045.0205 11.4814 3046.3575 4.2116 3050.7298 12.6858 3054.7387 24.5490 3057.9450 26.5688 3059.9617 17.8179 3061.1194 4.0382 3062.9776 48.2521 3064.7172 20.3173 3074.7956 30.8257 3084.5635 25.9977 3094.3694 9.6908 3095.1387 13.8354 3100.6773 12.0249 3102.6787 13.1115 3107.7308 6.1584 3108.2783 31.2529 3109.8367 36.2992 3111.9600 14.6375 3117.1973 16.2619 3118.4065 18.3950 3120.3067 16.5679 3122.3188 11.5423 3123.4420 21.1617 3124.5543 42.8686 3125.4253 13.8015 3133.8729 12.8495 3138.9557 24.7190 3162.0259 10.3051 3167.7163 19.3975 3243.2342 9.1714 > 0.26448 GHz 0.10775 GHz 0.10200 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$