NIST 07091514283D 1 1.00000 -423.93698 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0648 -0.8283 -0.2216 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1801 -0.1554 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 1.2875 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 1.4849 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1066 0.1391 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.0775 0.5187 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -3.0448 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 -4.3907 0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -4.1932 0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -2.7504 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.6452 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -0.1855 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 1.4092 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5018 2.0011 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 1.7011 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 2.3081 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 0.1414 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 -0.1158 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -2.7900 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 -3.0471 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 -4.6072 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -5.2138 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -4.3147 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 -4.9069 -0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5861 -2.7204 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3511 -2.2605 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 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 > 18389-95-2 > B3LYP/6-31G* > 0.0002 debye > -423.936979557 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 56.8435 0.2866 78.4696 0.0000 104.5545 1.3091 110.6564 0.9279 187.4861 0.1428 211.4825 0.0000 358.7251 0.0000 364.9891 8.1418 432.3211 0.0000 506.0351 0.0000 643.1697 0.0000 657.3829 0.3574 690.9059 0.1469 768.9031 0.0000 810.2640 1.8020 872.7695 5.6054 873.3573 0.0033 902.9698 0.0001 912.5088 0.7573 927.1480 0.0003 931.6989 51.4988 985.5396 0.0622 988.8174 0.0000 991.4006 4.0241 999.5423 0.0000 1071.0460 0.0000 1076.1913 4.0159 1120.0255 18.4719 1132.9011 0.0000 1133.2225 0.0000 1146.6504 17.3767 1181.3200 0.0000 1231.7754 3.6909 1234.2314 0.0001 1236.6406 8.0985 1244.2882 0.0000 1260.8637 8.3974 1271.2918 0.0000 1283.1453 4.2921 1297.9289 0.0000 1336.6491 0.0016 1337.9405 2.1711 1339.3766 0.0023 1339.7882 0.3602 1366.7778 0.2695 1384.6064 0.0000 1403.1394 0.0001 1403.6949 12.4532 1516.6665 1.0369 1516.8328 0.0089 1535.3818 0.0176 1535.6327 5.5711 1541.5571 2.3450 1542.7143 0.0000 1561.3443 5.2233 1562.7762 0.0000 2958.2497 55.3672 2959.9363 1.1302 2965.5763 168.7050 2969.5531 0.4787 3071.9269 1.4217 3072.3558 40.4429 3080.8915 113.3369 3082.5307 0.2999 3095.3441 0.0342 3100.3398 18.6670 3102.0942 62.4924 3108.6393 0.0141 3109.1370 0.0778 3112.0565 43.8487 3128.5456 66.7794 3128.7483 60.0579 > 3.45069 GHz 0.79084 GHz 0.67511 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$