NIST 07091504263D 1 1.00000 -595.02424 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 27 29 0 0 0 0 0 0 0 0999 V2000 -0.9341 -3.6631 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9757 -5.1170 -1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0758 -5.9597 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6815 -5.2204 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8615 -4.5025 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 -3.5536 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -3.7064 2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -2.7365 2.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -1.8777 1.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -2.1457 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4597 -1.5604 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -2.5376 -1.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -3.3940 -0.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 -4.8012 1.3892 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -5.5592 -1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1716 -5.2264 -2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -6.9045 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8837 -6.2249 -1.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 -4.6099 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4408 -2.8000 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -2.0408 3.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -3.2479 3.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 -0.8136 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 -2.0727 2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -0.5756 -0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -2.4340 -2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 -4.9812 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 12 2 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 7 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 14 27 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. > 2015-07-09 > 73650-94-9 > B3LYP/6-31G* > 1.1434 debye > -595.024235391 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 28.5834 0.0561 97.3956 0.3506 116.9296 1.3742 169.8350 0.0044 179.5798 0.7267 261.7878 1.9676 322.2259 0.8983 341.0403 2.3237 354.5597 3.0093 392.6742 1.6055 420.8271 6.6992 511.8950 0.0837 590.1804 32.9719 596.8565 51.3353 644.4897 16.0319 653.4841 1.8519 667.4301 17.7885 671.0387 0.8198 704.0946 15.1561 756.6766 3.6561 770.4695 61.6078 781.1818 4.4717 795.0737 35.4854 797.4082 2.0715 814.9590 4.1164 842.0490 0.2822 854.1514 0.1224 871.2134 0.5341 873.8472 0.9386 947.2164 15.1894 984.4176 0.6100 1000.6116 2.8612 1009.9285 3.3336 1022.3322 0.4262 1024.1869 2.1451 1045.0760 24.4715 1068.4688 10.6398 1169.2647 2.6257 1177.2402 10.6220 1208.4701 10.0024 1216.0692 0.3467 1229.4567 1.6169 1231.1558 9.9850 1262.5002 1.8208 1288.5384 4.8950 1294.3004 3.5098 1302.5641 0.5393 1311.5665 1.7578 1331.1488 4.9754 1369.7232 2.1004 1373.7589 12.0573 1414.9938 0.3561 1461.9879 4.6721 1471.3674 4.4331 1497.3631 0.9842 1499.3615 0.9825 1514.3631 0.9175 1520.4227 0.6718 1534.4089 3.4835 1588.1189 16.2969 1641.5066 4.7518 1658.0876 3.5009 3037.9760 38.1487 3042.0405 25.6684 3058.1420 86.1818 3059.7843 53.3768 3098.7813 3.1747 3099.3579 3.1187 3118.5572 26.0775 3119.3846 27.8184 3240.5495 9.7821 3255.6061 8.7211 3257.0261 6.8778 3270.0678 3.1647 3659.1679 33.8317 > 1.00853 GHz 0.88707 GHz 0.62669 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$