NIST 07021513063D 1 1.00000 -929.95792 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 45 48 0 0 0 0 0 0 0 0999 V2000 6.2797 1.9125 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0157 1.5021 0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 1.2326 -1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6585 3.5313 -1.1114 Sn 0 0 0 0 0 0 0 0 0 0 0 0 4.7646 0.1726 -1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5186 -0.2254 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 0.4417 0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 2.7921 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 3.5005 -1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0157 1.5947 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0458 3.0328 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3477 1.8434 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 1.1233 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2603 4.3693 -3.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 5.5063 -3.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 3.7827 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 6.0365 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 5.4374 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5201 4.3098 -5.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3971 5.0482 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1209 5.3550 0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 5.7663 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9472 6.3527 1.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0508 7.0595 2.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3269 6.7636 1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4827 2.0166 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 1.5333 -2.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 -0.3404 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -1.0497 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 0.1391 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5149 4.4230 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2357 1.0149 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8336 3.5949 -2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3711 1.4775 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5593 0.1934 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 5.9929 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4415 2.9108 -4.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5429 6.9184 -4.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 5.8496 -6.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 3.8422 -6.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 4.8073 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 5.5457 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 6.5752 2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 7.8353 3.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1905 7.3075 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 4 8 1 0 4 14 1 0 4 20 1 0 1 2 1 0 2 7 2 0 7 6 1 0 6 5 2 0 5 3 1 0 1 3 2 0 8 9 1 0 9 11 2 0 11 12 1 0 12 13 2 0 13 10 1 0 8 10 2 0 14 15 1 0 15 17 2 0 17 18 1 0 18 19 2 0 19 16 1 0 14 16 2 0 20 21 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 22 1 0 20 22 2 0 2 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 25 45 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 > 595-90-4 > B3LYP/GENECP > 0.0059 debye > -929.957918673 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.5826 0.0114 25.3997 0.0044 29.0689 0.0006 29.2286 0.0016 32.4251 0.0026 36.6584 0.0650 37.6698 0.0560 39.2800 0.0407 41.8293 0.0342 137.3843 0.0195 145.1288 2.5784 145.7602 2.5484 185.3159 3.0937 196.2166 0.0008 206.2367 2.7925 206.8410 2.7805 214.7102 0.0030 220.3587 0.0795 267.7012 43.0684 268.1770 43.2815 275.8128 48.4321 404.2123 0.1070 405.0378 0.0801 405.9235 0.0213 408.3935 0.1153 455.5223 0.2676 461.2637 26.7723 461.5444 26.8215 469.9382 15.4958 632.7841 0.0005 632.9528 0.0375 633.0159 0.0390 633.3991 0.0483 662.6440 0.0025 668.4972 1.2400 668.6555 1.9946 668.9970 1.9656 717.2037 28.4468 717.5734 30.0282 718.0447 23.7509 719.2232 1.8830 746.6024 8.7391 746.8663 23.6067 747.0334 21.0555 749.1223 17.6936 871.8829 0.0756 872.5476 0.0773 873.1358 0.0219 875.5179 0.0361 928.8433 0.2292 929.1947 0.2729 929.5193 0.0372 931.1029 0.0157 977.1061 0.0614 977.4831 0.0497 977.7514 0.0862 979.5460 0.0796 1003.2125 0.0439 1003.2681 0.0168 1003.4611 0.0270 1003.8965 0.0019 1014.7645 6.2012 1014.9396 4.7648 1014.9896 4.8428 1016.0048 0.0325 1044.0623 0.0002 1045.4283 0.0458 1045.5175 0.0621 1045.5771 0.0577 1097.4822 2.8153 1098.4641 15.7174 1098.5190 17.7247 1099.2035 16.2931 1102.7845 0.2284 1103.1559 0.5876 1103.7129 0.4791 1105.1429 0.1160 1194.4664 0.1869 1194.5791 0.1202 1194.6879 0.0858 1194.7217 0.0233 1224.3826 5.2559 1224.7611 4.7200 1225.2443 5.2263 1226.5517 0.3512 1322.2082 4.2506 1322.5315 4.2411 1324.2369 4.5734 1324.6290 2.4514 1369.7188 1.1179 1369.9080 0.2853 1370.4865 1.0457 1371.6050 0.8163 1474.7990 15.3724 1475.0097 15.7192 1475.9126 0.4200 1477.1424 25.3311 1530.4087 0.0618 1531.2269 2.4819 1531.3353 3.6154 1531.6664 3.4604 1628.6543 0.1779 1628.7509 0.2377 1629.0241 0.0481 1629.8431 0.8303 1641.6232 0.3123 1641.7809 0.2595 1641.8576 0.2580 1642.2735 0.0009 3167.5496 7.8078 3167.6262 7.2871 3168.0474 0.9479 3168.4858 0.0818 3171.1298 1.9063 3171.4252 3.2076 3171.9620 2.1773 3172.6261 2.8165 3182.2829 1.5353 3182.5209 1.6143 3182.7418 1.4767 3183.2118 0.3209 3191.7450 28.4076 3191.8207 42.7448 3191.8918 30.0886 3192.1048 66.4374 3203.7954 55.1288 3203.9323 55.4710 3203.9890 55.6592 3204.5262 1.1398 > 0.16348 GHz 0.15970 GHz 0.15920 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$