NIST 07301400213D 1 1.00000 0.14271 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 0999 V2000 1.3608 -0.6537 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 -1.9346 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.4828 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1128 0.4488 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 -2.9971 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 -2.8380 1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8861 -4.3363 0.7203 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -1.5606 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 -5.2604 1.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9683 -4.4477 0.1463 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 1.6159 -0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 2.0295 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6661 2.5654 -1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 3.3203 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 3.7192 -1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3799 2.8416 -1.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 1.5627 -2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 1.1589 -1.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4584 3.3551 -1.6929 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -2.1140 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3092 0.5043 0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 0.3003 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -3.6929 1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 -1.4041 1.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 4.0109 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 4.7189 -0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 3.1560 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 0.8815 -2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 0.1709 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 5 2 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 11 2 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 6 1 0 0 0 0 6 8 2 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 10 2 0 0 0 0 8 3 1 0 0 0 0 8 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 2 0 0 0 0 13 19 3 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 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. > 2014-07-30 > 6720-37-2 > PM6 > 5.2100 debye > 0.142706641063 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 16.9073 1.5065 27.2957 0.2579 35.3848 0.1712 53.1786 0.3954 64.8725 2.9980 100.4917 2.2335 145.7101 1.0833 151.1099 0.8272 166.8028 3.0125 187.9089 1.1553 231.6610 1.1879 297.2986 1.6646 342.1578 3.3914 349.8607 0.0644 381.9141 0.7888 400.9835 1.5650 420.8878 1.9229 451.1884 2.5855 465.9632 5.3122 504.5144 2.9004 534.1794 2.0093 569.6951 4.2656 594.7706 0.1520 617.0638 4.6804 631.8464 16.0184 654.7550 18.1744 673.0326 59.6159 692.2253 15.0720 753.4786 108.9426 772.6895 21.0763 806.1103 59.6227 816.5345 65.2774 847.9392 12.8167 882.1187 0.0085 914.0867 15.9153 938.9137 3.9974 946.1988 16.1225 953.8768 0.5184 971.1507 13.5622 974.1171 1.4557 986.9516 0.0280 989.1793 0.1723 1002.4102 36.0087 1044.4707 3.0640 1070.1562 2.5463 1120.2478 12.4920 1126.3657 1.1380 1153.5777 5.4531 1163.0105 6.8903 1165.7835 30.7435 1189.1301 53.3237 1210.7407 0.8480 1227.4892 2.8158 1234.6309 0.0366 1252.1094 3.6518 1294.0051 0.3052 1296.6267 1.2257 1342.7728 31.5611 1378.9607 20.5125 1442.2043 541.1516 1469.7587 13.4607 1476.9899 9.3681 1515.4986 13.0354 1525.1476 13.7700 1619.7711 3.5223 1635.2608 0.4917 1643.8875 0.1632 1647.4697 0.2709 1720.7049 565.1163 1781.6979 3.7886 2365.4791 86.3321 2719.8123 66.6450 2723.2942 150.3721 2726.0354 218.6427 2733.5540 59.2089 2743.9140 12.6252 2747.9674 4.1690 2751.8010 63.9851 2752.6198 188.1345 2754.9935 317.8147 2765.4955 78.4757 > 0.66996 GHz 0.21406 GHz 0.18189 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$