NIST 07071418093D 1 1.00000 -443.63620 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 24 0 0 0 0 0 0 0 0999 V2000 3.0695 0.2072 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -0.5722 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -1.9030 0.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1658 -2.5229 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 -1.8219 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.4204 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 0.3568 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -0.1067 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 1.7061 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -4.0336 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 -4.6786 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 1.2854 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 -0.0943 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 -2.3727 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 0.4615 -0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9214 -1.0484 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 1.6360 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 2.4250 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 2.1266 -1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -4.4168 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -4.3162 1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -5.7672 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 -4.2912 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 -4.4597 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 7 8 2 0 7 9 1 0 4 10 1 0 10 11 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 1 12 1 0 2 13 1 0 5 14 1 0 8 15 1 0 8 16 1 0 9 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 11 24 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. > 2014-07-07 > R68647 > B3LYP/6-31G* > 2.0830 debye > -443.636195178 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 36.7136 0.4269 41.4305 0.1286 125.4586 0.0481 158.3725 0.8935 183.8207 0.1605 205.9531 0.2592 240.9825 0.5099 295.4342 1.0844 327.1877 0.2672 393.0526 0.4560 399.3549 6.2800 474.1159 4.8807 519.8555 4.0020 534.6557 4.7788 569.8570 1.4967 644.6753 0.6584 731.2048 3.2055 747.1765 1.7206 776.9067 1.1477 802.5149 0.6223 862.7272 9.9680 865.7540 16.7479 914.4450 9.4159 931.9749 33.8552 956.3845 3.2395 981.1093 0.1455 999.0065 4.1066 1013.7237 2.5646 1039.0194 3.7255 1082.6566 5.8761 1085.0525 0.9152 1099.2187 5.5094 1153.6679 2.0444 1159.3269 0.9702 1244.8705 1.8005 1277.9579 0.5413 1308.0827 0.1406 1337.1828 14.0561 1346.9149 0.7684 1371.7703 5.6875 1429.4746 2.6150 1437.5548 0.5107 1456.9487 27.0293 1469.0970 2.8773 1510.3352 1.6671 1511.8296 7.8244 1525.9584 4.8086 1527.0223 18.9915 1528.8780 1.4536 1540.2821 4.8721 1601.1710 43.7770 1651.8385 94.2438 1710.6487 4.5999 3043.3606 17.9811 3050.5456 21.1213 3051.6946 37.5592 3088.2127 10.9931 3094.7633 19.0895 3117.2996 45.4784 3135.0647 20.7605 3137.1406 25.1226 3164.5258 35.0575 3172.7398 5.8632 3204.6285 7.6241 3219.2392 14.6340 3250.9212 14.6846 > 2.18953 GHz 0.65748 GHz 0.54333 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$