NIST 08011410353D 1 1.00000 -426.37330 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 29 0 0 0 0 0 0 0 0999 V2000 -0.1127 20.0125 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 20.7272 -0.1712 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 19.8043 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 21.5591 -1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6396 20.4957 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 19.4897 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1529 20.1811 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 19.2581 0.1712 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 19.9727 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3616 18.4261 1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 20.7295 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0701 19.4479 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 19.3015 -0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 19.1292 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 19.1622 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9681 22.1710 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2121 22.2390 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9474 20.9707 -2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 21.1211 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 21.1721 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 18.8643 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 18.8133 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 20.8561 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 20.8233 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3674 19.2557 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 20.5374 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7809 20.6837 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2165 17.7460 1.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 17.8144 1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 19.0144 2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 10 30 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. > 2014-08-01 > 111-51-3 > B3LYP/6-31G* > 0.0002 debye > -426.373297167 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 24.6358 0.4083 48.9616 0.2145 79.0567 0.1635 90.1727 0.0000 120.7715 0.0000 147.2925 0.7473 205.2694 0.0000 231.8618 0.0000 256.5855 1.0711 262.0670 0.0021 262.5531 1.9617 277.6778 0.0000 349.3197 7.3483 374.9066 7.2286 378.7217 0.0001 432.5468 0.0328 459.3548 0.0000 489.4923 0.0000 533.2007 5.8033 757.4705 1.7992 812.3161 0.0000 854.9308 41.1050 866.4807 0.0000 950.8388 1.8811 1015.2175 22.1074 1047.9152 0.0000 1068.1951 0.0002 1071.9654 44.8694 1075.8397 0.0000 1085.6263 51.7544 1086.2514 0.0005 1134.0240 0.0001 1134.7778 10.7313 1136.8248 0.0000 1165.8909 23.7960 1203.1080 25.9787 1206.4718 0.0000 1253.7700 19.5496 1258.7998 0.0000 1309.0458 20.2077 1312.2175 0.0000 1317.3061 19.4564 1328.6987 0.0000 1347.7213 0.0000 1360.2590 18.2140 1386.9914 0.0000 1438.9091 42.6355 1439.0436 0.0115 1468.6164 3.9374 1469.4613 0.0001 1498.2543 0.0000 1498.5933 1.2452 1513.4481 18.1712 1513.9074 0.0002 1516.9727 10.1654 1517.5768 0.0008 1525.0856 0.0000 1529.2221 13.7975 1530.2156 14.9281 1530.7995 0.0000 1535.6911 0.0000 1540.6700 12.1563 1542.0531 0.0000 1547.4222 6.1156 2901.0291 0.5165 2901.0961 93.2330 2922.3340 0.0662 2922.3830 87.1813 2935.3409 341.8919 2935.5756 0.0259 3035.0931 0.0000 3040.4485 16.8374 3053.5512 0.0004 3055.4493 61.7186 3069.5108 0.0000 3073.6442 72.7668 3073.9558 0.0077 3085.8706 85.2144 3086.3871 0.0008 3093.6030 84.7412 3117.9195 0.0870 3118.0178 81.5607 3132.9579 0.3311 3133.1232 75.0692 > 3.90473 GHz 0.37644 GHz 0.35306 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$