NIST 08101209283D 1 1.00000 -483.71981 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 29 0 0 0 0 0 0 0 0999 V2000 -0.3898 1.1090 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 0.4869 0.0109 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2283 0.2786 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 0.5065 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 -0.3397 2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6903 1.6468 1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4158 -0.6867 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 0.0610 -2.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.9485 -1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -0.4737 -1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -0.3838 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 -1.2836 1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 0.3366 2.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7038 -0.5419 3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.3416 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 2.0835 1.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 1.5376 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 -1.7114 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 -0.6575 2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 -0.9380 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 0.0269 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2749 0.7519 -2.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 2.6324 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9435 2.0159 -2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 2.2782 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 -0.2876 -2.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9772 -1.4988 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 -1.1046 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7197 0.6072 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 3 6 1 0 4 8 1 0 4 9 1 0 2 3 1 0 3 7 1 0 7 11 1 0 11 10 1 0 10 4 1 0 2 4 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 M RAD 1 1 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-08-10 > 2564-83-2 > B3LYP/6-31G* > 2.8954 debye > -483.719812816 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 79.5691 2.5454 118.1484 0.0543 196.9258 1.0124 212.3804 0.1171 235.1303 0.8466 250.4128 0.0986 264.6372 0.3884 281.4895 0.0030 290.1951 0.0532 308.0593 0.8966 312.0686 0.0428 332.2044 1.2306 383.2760 10.7694 405.4011 0.7774 407.8461 1.4273 452.2920 0.6000 472.0655 1.3780 532.0836 8.8749 552.0110 6.8294 576.5655 0.2421 633.7292 2.3225 790.9035 0.1662 797.8168 2.1518 873.5170 0.9934 887.4729 0.0052 931.4061 0.0334 946.0022 1.0237 949.5920 0.9394 979.0918 2.7967 990.2691 5.7930 1021.0598 0.9340 1023.9403 0.2817 1060.5922 0.1365 1073.5469 0.8989 1077.9102 1.3979 1118.0582 2.2584 1159.3431 24.1642 1212.7144 3.6980 1228.9276 8.1157 1249.9259 1.5051 1269.3831 1.9785 1281.6936 24.0788 1293.6328 16.1593 1335.8032 2.0213 1388.3873 0.2685 1394.0596 4.7004 1405.4371 1.1328 1411.0879 1.5915 1415.7924 0.1373 1420.4450 16.6297 1437.7675 13.0655 1446.8056 2.9568 1501.0516 1.3364 1506.5829 0.2807 1511.9268 0.2279 1518.2258 2.9427 1520.8216 0.1246 1524.1855 2.7325 1527.7252 6.9124 1530.5731 1.5808 1536.0106 14.4913 1539.4163 8.2411 1547.2035 1.8626 3033.9541 12.9478 3036.5487 24.3647 3049.0623 10.8642 3055.5982 5.1360 3058.0119 36.7677 3061.5602 32.3953 3063.6068 3.4371 3077.6655 35.3517 3080.1495 37.2037 3090.0262 50.1333 3119.9307 20.2913 3124.1167 39.3723 3125.0356 65.8739 3129.0496 5.6726 3144.8656 1.5682 3148.6630 22.0676 3164.2764 7.3399 3165.2414 15.3809 > 1.47266 GHz 1.05624 GHz 0.84883 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$