1-Naphthalenecarbonyl chloride NIST 11121313213D 1 1.00000 -958.81884 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 21 0 0 0 0 0 0 0 0999 V2000 5.3252 -1.8675 3.3831 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 -0.1011 3.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 0.4036 4.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6768 0.5216 1.9345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 1.7452 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8448 1.8621 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 1.0468 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7845 1.2595 1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 0.4186 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -0.2051 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -0.2405 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 0.9810 -1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3255 0.3470 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 2.2009 -1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7354 2.4104 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 1.3449 2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -0.6539 2.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -0.7228 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 1.4552 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 0.3060 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 13 11 1 0 11 10 2 0 10 9 1 0 9 4 2 0 4 8 1 0 8 6 2 0 6 5 1 0 5 7 2 0 9 7 1 0 7 12 1 0 13 12 2 0 5 14 1 0 6 15 1 0 8 16 1 0 10 17 1 0 11 18 1 0 12 19 1 0 13 20 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. > 2013-11-12 > 879-18-5 > 1-Naphthalenecarbonyl chloride 1-Naphthoyl chloride 1-(Chlorocarbonyl)naphthalene 1-Naphthalenecarboxylic acid chloride > B3LYP/6-31G* > 4.0956 debye > -958.818841080 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 51.0611 0.6666 82.9743 0.4318 159.0036 1.5759 180.9596 1.8919 196.9255 0.1170 283.8373 3.5156 347.2660 3.7451 402.1190 2.6176 424.6273 14.6147 467.5564 18.3769 479.3824 0.4050 510.3974 3.1814 536.2709 20.7028 561.6381 13.0041 622.4411 10.4846 666.0614 24.1540 697.6953 11.7326 753.5523 0.9616 786.6474 34.2372 802.3732 131.9724 807.5752 32.3531 823.3145 19.4965 884.0606 10.3676 896.0690 91.5038 938.8343 3.1571 964.7339 3.9654 986.7057 0.9099 999.2328 0.6170 1043.7118 33.4677 1066.8869 26.8160 1116.6920 15.2587 1180.9942 4.1469 1201.2800 13.8422 1203.1343 20.6265 1249.5121 15.2832 1255.1336 51.6347 1305.6039 4.4566 1386.6902 14.0308 1403.7062 8.8122 1435.7416 0.2431 1487.9675 0.1957 1506.1366 6.9425 1565.4168 21.6405 1622.8842 21.6441 1647.5832 1.1302 1679.2923 2.2745 1863.9786 323.2773 3184.2310 0.4299 3188.7607 4.2781 3197.4641 14.7815 3209.6578 15.0614 3212.1654 23.6834 3225.7582 5.8832 3246.4030 3.5737 > 1.09043 GHz 0.60422 GHz 0.41515 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$