NIST 07091504283D 1 1.00000 -1038.77239 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 27 28 0 0 0 0 0 0 0 0999 V2000 4.6452 -0.0539 -0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 0.8950 -1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 1.2027 -1.2583 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 0.4816 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.5116 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9123 -0.8459 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4353 -0.9915 1.1749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.3617 0.7545 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 0.5459 -0.2124 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6972 -1.9508 1.5343 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 1.5787 -1.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 1.4350 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 2.6981 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 3.6068 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 4.8738 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 -0.2005 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6096 2.1464 -2.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8843 1.1044 -2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 1.6895 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 0.8544 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 2.3978 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 3.2467 0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 3.8860 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 3.0451 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5483 5.5018 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 4.6261 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 5.4751 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 10 2 0 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 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. > 2015-07-09 > 92352-41-5 > B3LYP/6-31G* > 8.8226 debye > -1038.77239152 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.5753 1.4741 42.7078 0.2243 71.7075 0.1639 115.7892 0.1341 118.9176 0.3522 151.8586 1.1410 174.6283 3.8031 194.9900 0.2316 220.5373 2.2825 245.5531 0.2405 255.4729 0.3003 302.9760 6.5678 340.4944 94.3668 367.6870 5.1218 376.9632 4.0644 438.2825 3.3600 443.3139 1.8997 526.0584 44.6528 555.3935 246.9037 576.5522 2.4362 605.4005 12.7553 639.8697 17.5946 679.9654 74.8678 687.4419 2.0214 720.7990 26.5955 747.0889 6.1486 766.2625 31.8044 775.7126 3.6206 806.3924 6.4394 864.1440 8.7086 919.6120 1.0284 942.7706 0.8630 995.3233 25.8461 1023.0828 2.8397 1035.9689 27.7099 1038.0760 110.6190 1069.7978 0.0616 1130.0772 1.0222 1142.2178 6.4445 1175.6991 185.9985 1209.4295 13.8364 1219.1680 10.7638 1281.4027 0.4827 1302.1991 6.4838 1310.5727 4.8837 1335.3908 1.6780 1346.3701 1.8193 1381.8911 1.8432 1395.5164 69.7782 1402.9667 1.2848 1429.2374 20.2302 1444.8427 2.5772 1454.7063 10.9719 1483.6499 4.4214 1504.8127 2.0671 1519.5152 0.9276 1528.3551 1.6838 1530.5496 6.6111 1541.7264 3.5255 1596.9861 269.8349 1617.4598 491.2462 1627.2888 249.2658 1691.5911 357.6768 3027.4973 22.1211 3045.0737 11.7756 3048.8019 35.3628 3055.8917 11.7099 3085.8450 26.2435 3089.9191 11.1447 3113.0540 48.0110 3118.5556 40.7130 3138.6032 14.0404 3563.9814 31.1920 3577.1666 76.1674 3684.7787 36.9197 > 0.96622 GHz 0.27813 GHz 0.23013 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$