NIST 07181217303D 1 1.00000 -291.20763 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 1.5655 0.0021 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5445 0.2688 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4427 -0.9082 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 1.5902 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -0.0874 -0.7043 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7729 -0.3446 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 -0.5060 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1483 -0.1063 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.3582 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -1.0578 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0767 -1.8417 -1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -0.7202 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7272 1.5523 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 1.7908 -2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 2.4355 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5056 0.4729 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -1.2440 0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 0.3943 2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 -0.6901 2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -1.3518 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 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. > 2012-07-18 > 28916-23-6 > B3LYP/6-31G* > 1.3386 debye > -291.207632940 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 55.0669 0.2013 99.1044 0.2266 159.2342 1.2315 208.9828 10.2936 223.5645 0.7492 249.6637 0.2702 292.5514 1.9184 311.2051 0.8924 372.6861 1.1975 431.7919 0.0590 479.1886 1.0608 563.1142 2.7915 780.8355 0.2783 856.8901 0.4476 883.4742 9.8084 942.6350 1.5883 954.8394 19.3374 967.4047 1.9464 983.0837 2.7076 1058.7251 14.5341 1107.8577 1.3448 1129.1520 3.2288 1159.0932 1.0619 1196.2357 1.7629 1210.1119 1.2251 1329.5439 0.1762 1336.9040 5.2908 1365.4425 3.0195 1390.0383 40.9846 1416.3636 0.8979 1423.5219 2.6740 1439.1011 12.5195 1447.7619 4.2697 1506.8093 1.6169 1518.6393 0.3363 1521.1185 1.9318 1524.8786 5.5839 1532.8812 5.4688 1534.4128 2.1687 1540.2436 9.4845 1765.0887 56.7090 3007.0917 37.8395 3034.5276 40.0074 3038.6489 25.1625 3043.0434 22.6944 3049.4998 23.6328 3055.9539 16.3635 3070.2356 5.2422 3101.7197 2.6807 3110.1055 77.8260 3116.0227 32.1470 3118.7220 28.0665 3119.3420 35.8747 3120.1223 35.0777 > 5.04841 GHz 1.19897 GHz 1.15446 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$