NIST 06251404593D 1 1.00000 0.00566 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 20 0 0 0 0 0 0 0 0999 V2000 7.2294 3.0540 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3363 1.8641 -0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8906 0.6078 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 2.0077 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 0.4098 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0145 -0.4567 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0772 0.9336 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -0.3115 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.1220 -0.5214 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9124 2.8700 -1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 3.9470 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 3.2891 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 2.9822 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 0.6317 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8399 1.0613 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6262 -0.6240 0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4256 -1.4324 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -1.1618 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 1.8863 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1585 0.2814 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 7 9 1 0 2 3 1 0 3 6 2 0 6 8 1 0 8 7 2 0 7 4 1 0 2 4 2 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 8 18 1 0 9 19 1 0 9 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. > 2014-06-25 > 95-64-7 > PM6 > 1.5215 debye > 0.565640761636E-02 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 69.0996 0.0881 100.2789 1.6574 112.6343 0.9842 181.6872 5.8543 284.2954 28.6150 297.7893 0.4487 304.1205 5.8058 308.5836 2.9149 408.6733 13.4883 440.1056 3.8027 473.5835 6.8172 544.3230 36.8745 559.2981 68.1829 629.0804 363.4684 655.5602 58.1546 744.2557 46.7667 853.7378 76.0645 862.4316 2.4780 888.7067 44.6935 950.6940 28.1770 975.9799 33.4229 1000.8602 22.3121 1020.9674 109.5403 1029.6894 8.4305 1066.4713 7.6263 1115.6023 16.3038 1182.6682 0.2032 1193.7370 31.6433 1231.3459 37.6330 1246.7760 21.4993 1251.3200 37.0543 1254.6280 64.5401 1272.2209 29.4050 1275.1847 4.3558 1295.9486 18.0766 1335.8657 71.2018 1343.2474 140.3359 1442.6931 15.1231 1514.4282 29.7943 1550.3378 202.8539 1627.5394 56.6067 1639.7636 58.6686 1656.3527 151.1779 2688.2931 11.2281 2690.8711 113.9621 2693.2500 62.3647 2694.9932 32.2339 2751.1742 56.9031 2766.7946 99.7859 2771.0114 98.2733 2785.4543 32.5983 2786.8233 55.3750 2822.3526 117.2115 2834.2927 149.9983 > 2.94596 GHz 1.30233 GHz 0.91413 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$