NIST 08101209293D 1 1.00000 -1206.12755 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 30 32 0 0 0 0 0 0 0 0999 V2000 33.7234 28.8748 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0431 30.3764 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2122 28.5303 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3351 28.4629 1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8046 31.2828 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7870 30.7543 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8231 30.6175 -1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5411 29.3196 -1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8652 29.5437 5.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0439 30.6196 5.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0541 28.4862 4.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6747 29.5197 7.2967 Cl 0 0 0 0 0 0 0 0 0 0 0 0 35.3987 30.6353 4.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5852 29.5812 3.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4160 28.5083 3.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9278 29.5986 1.9995 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1823 31.8599 1.5036 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3132 27.3545 1.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2301 28.2977 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7352 30.5363 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0929 27.4518 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7439 28.7719 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 33.1334 32.2570 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3152 31.4768 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 31.3436 31.2157 -2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8232 28.8188 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9059 31.4367 6.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6955 27.6545 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 34.7662 31.4723 3.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 36.5530 27.6857 2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 5 2 1 0 2 6 1 0 3 8 1 0 16 4 1 0 4 18 2 0 7 5 1 0 6 17 2 0 6 16 1 0 8 7 2 0 9 12 1 0 14 16 1 0 9 10 1 0 10 13 2 0 13 14 1 0 14 15 2 0 15 11 1 0 9 11 2 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 5 24 1 0 7 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 13 29 1 0 15 30 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. > 2012-08-10 > 43069-64-3 > B3LYP/6-31G* > 3.8082 debye > -1206.12755101 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 25.0173 0.0470 34.9911 0.5706 56.0147 0.5107 63.8108 0.9699 126.5500 2.0832 138.9505 3.5866 170.7559 1.4860 208.9261 1.1840 222.8494 1.1396 254.1817 4.0355 286.6566 2.1730 352.1077 0.7723 376.2862 8.9835 387.6511 2.2169 420.4367 0.2571 425.6982 2.5329 446.2927 33.9791 466.1190 0.5436 521.4405 9.8960 543.5900 2.3617 579.0959 14.1102 624.1700 9.7324 642.0866 0.0426 656.2477 0.1537 686.2304 23.7600 711.6040 0.5924 722.4967 0.2244 727.9609 6.4572 767.4658 5.6167 812.9789 45.8608 824.9743 7.4999 827.2198 16.9765 841.6954 25.6908 935.5099 4.1429 952.1021 2.3017 956.5404 0.2868 962.5194 12.2402 964.8814 5.1273 981.1111 3.3056 986.4825 0.6533 1034.9185 26.1086 1040.3717 1.0351 1062.0110 0.8907 1097.0840 12.5967 1113.3989 67.9558 1130.6729 1.7485 1147.2136 2.9801 1179.7917 2.4591 1196.1804 170.4171 1202.5825 28.7457 1219.4835 4.2727 1231.5658 2.2970 1237.8919 22.4548 1263.7087 1.8937 1313.7845 2.5867 1336.1967 2.3299 1338.0946 0.5165 1347.0872 4.1936 1347.5947 7.1971 1361.2595 14.9078 1364.0246 2.3973 1390.7298 411.0158 1416.9869 0.0351 1454.7380 3.7563 1512.9855 0.6880 1521.7413 6.3566 1542.3420 169.5076 1633.1045 0.3504 1652.7741 0.3680 1718.5181 5.5327 1802.8536 493.8780 1859.9767 5.3918 3016.9193 24.7885 3020.3461 7.3040 3068.5433 1.8034 3082.6063 12.4529 3119.1526 24.6181 3120.7695 4.8643 3178.7273 5.8218 3199.9151 39.1316 3224.9654 3.0462 3225.3714 2.0866 3253.2423 0.5752 3254.4092 0.5026 > 1.16094 GHz 0.17562 GHz 0.16025 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$