NIST 07251412193D 1 1.00000 -1109.04187 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 28 28 0 0 0 0 0 0 0 0999 V2000 6.6372 4.1677 -1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9802 2.9946 -1.2545 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1403 1.9036 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 5.0439 -2.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 4.4102 -2.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 0.8558 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 1.7987 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 6.3756 -2.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 4.8054 -1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9605 -0.2620 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 0.6688 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7156 -1.5443 1.0652 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6141 -0.3814 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -1.5113 0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5974 -1.6511 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 2.9150 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7463 0.9038 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 2.5991 -1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3478 6.3820 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 7.1397 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0397 6.6240 -3.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4132 3.8214 -1.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7072 5.5494 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 4.8909 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 0.6173 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.6156 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.8558 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -1.6506 -1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 4 1 0 1 5 2 0 2 3 1 0 4 8 1 0 4 9 1 0 10 12 1 0 13 14 1 0 14 15 1 0 3 6 1 0 6 10 2 0 10 13 1 0 13 11 2 0 11 7 1 0 3 7 2 0 2 16 1 0 6 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 15 26 1 0 15 27 1 0 15 28 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. > 2014-07-25 > 19937-59-8 > B3LYP/6-31G* > 2.7341 debye > -1109.04187061 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.6128 3.5582 37.6452 1.4742 81.0298 5.7061 83.2917 5.0407 93.2163 0.9761 102.1214 5.2150 138.3794 1.7939 157.5912 1.4780 181.7377 0.7501 186.6393 0.8115 206.4138 0.2429 234.2192 0.4943 255.5914 0.5398 260.7847 0.9441 341.4095 5.4675 387.8200 1.1351 395.0048 14.4686 420.6502 10.0866 428.7347 36.8009 450.9243 1.9412 463.0570 33.6648 539.6543 0.1663 596.6351 1.4810 605.9422 31.9068 636.5314 2.0973 705.8359 2.1017 714.2737 17.0533 734.4048 17.1045 784.4658 17.3317 833.0462 23.3938 858.2841 29.1578 900.5277 3.4840 919.1008 33.2748 956.1773 0.8514 1052.0506 69.2215 1055.3730 6.6380 1096.3035 20.2855 1102.9943 69.5255 1139.3507 2.5688 1173.8487 74.1430 1182.9206 8.6993 1185.6807 0.8073 1204.5829 243.2672 1221.4401 4.5909 1265.4233 194.4504 1304.2098 50.3008 1308.0648 136.7836 1321.4660 101.2382 1366.4198 30.7330 1387.8066 179.0188 1438.7153 86.6084 1455.1490 8.9434 1498.9201 32.6683 1500.2618 84.8782 1520.7918 6.2197 1526.2633 13.0065 1532.5805 11.8942 1533.1661 105.6588 1538.6341 102.9920 1550.7734 96.4719 1557.1589 143.2395 1578.5450 471.3320 1639.7925 99.6101 1671.0603 23.6309 1769.0250 253.0503 3002.0283 50.6936 3025.8936 113.6935 3026.4828 38.7564 3073.5732 33.7096 3080.9726 39.0570 3085.8886 42.9028 3139.0694 19.6208 3161.1886 23.7505 3194.6785 7.7849 3196.0733 0.8294 3224.5615 9.5951 3280.9264 7.1733 3645.8948 15.0593 > 1.17109 GHz 0.23195 GHz 0.19448 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$