Cyanamide, N,N-diethyl- NIST 06201314153D 1 1.00000 -306.03150 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 17 16 0 0 0 0 0 0 0 0999 V2000 0.4748 1.8091 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7279 1.1827 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 1.3664 -0.1296 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 1.8522 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.1306 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1255 -1.1284 0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 2.2937 2.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 1.5902 -1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 2.8989 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 1.6156 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.3774 1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 0.0995 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 0.0106 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 0.3034 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6762 -1.9811 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -0.9945 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0594 -1.3762 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 3 5 1 0 4 7 3 0 5 6 1 0 1 8 1 0 1 9 1 0 2 10 1 0 2 11 1 0 2 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 6 17 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. > 2013-06-20 > 617-83-4 > Cyanamide, N,N-diethyl- Cyanamide, diethyl- (Diethylamino)carbonitrile Diethylcyanamide > B3LYP/6-31G* > 4.8450 debye > -306.031502729 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.1649 2.0708 77.0445 1.2708 108.7612 0.6548 168.9824 4.5987 242.0306 0.3578 261.4591 0.2296 358.3138 0.1580 390.2977 0.6806 433.1437 1.0261 536.8985 17.2666 626.3672 2.5355 713.9994 4.4240 794.4307 5.1069 804.2424 5.6359 932.4077 0.6569 986.3169 4.2335 1095.3244 9.6150 1103.9868 9.5010 1116.7578 34.7748 1125.1059 26.4764 1233.1076 33.2423 1273.7672 23.5396 1352.2022 13.8208 1399.1173 16.2784 1411.4567 37.0874 1419.0176 0.6365 1438.5206 12.9964 1444.7793 13.0809 1506.6817 0.7394 1516.9870 3.2489 1518.3691 0.9488 1526.7128 8.8451 1529.7041 6.3080 1538.5034 4.5853 2326.0269 159.9889 3055.4326 8.6048 3058.0227 21.3816 3062.6787 14.3097 3066.4699 39.7809 3103.2990 2.8091 3107.8557 7.3546 3123.6609 49.7507 3126.6402 25.0880 3137.0527 16.4055 3143.1042 40.5056 > 2.57700 GHz 2.49610 GHz 1.60346 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$