Carbamic chloride, N,N-diethyl- NIST 06201314153D 1 1.00000 -786.74798 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 17 0 0 0 0 0 0 0 0999 V2000 1.4755 0.8774 0.2551 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6713 1.7801 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -0.5552 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 1.2204 1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 0.4852 1.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9027 3.0211 1.0247 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5479 2.3487 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -1.3616 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 2.5851 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3579 1.1978 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 -0.9477 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 -0.6135 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 2.9712 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 1.5500 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2369 2.9668 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -2.4091 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -0.9745 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -1.3274 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 7 1 0 3 8 1 0 4 5 2 0 4 6 1 0 2 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 7 13 1 0 7 14 1 0 7 15 1 0 8 16 1 0 8 17 1 0 8 18 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 > 88-10-8 > Carbamic chloride, N,N-diethyl- Carbamic chloride, diethyl- Carbamoyl chloride, diethyl- (Diethylamino)carbonyl chloride > B3LYP/6-31G* > 4.4616 debye > -786.747980565 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 69.5305 1.2936 80.8694 0.6913 83.7783 0.1283 123.3684 0.0623 218.8684 0.2973 234.5521 0.8823 295.0349 0.9993 324.8238 4.6350 365.8210 30.9915 422.3223 4.6951 461.9950 2.7355 508.8714 11.4915 655.3782 35.3493 665.9411 17.9479 792.1524 3.4046 795.0724 2.7928 851.4230 85.6516 956.7918 7.6368 1012.5352 10.7732 1099.0286 40.5941 1113.0337 3.0695 1124.6398 34.0447 1145.3071 110.2141 1243.5903 82.8529 1290.4497 90.5616 1348.8477 15.9115 1398.2942 15.0723 1417.2661 23.7609 1438.3871 21.2215 1441.8606 31.3497 1444.2704 70.3159 1509.6476 7.6172 1519.9545 1.8840 1522.1667 3.7739 1528.2297 8.9832 1534.6819 9.9938 1538.4133 10.6278 1858.5262 429.0405 3056.4394 15.1541 3057.1713 16.6092 3072.6678 24.6896 3083.6257 22.0006 3118.6821 13.4755 3120.6595 24.6602 3138.0101 15.4715 3139.8691 16.4479 3151.3794 20.2412 3158.1884 15.5004 > 1.97328 GHz 1.37698 GHz 0.91407 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$