NIST 06231402563D 1 1.00000 -796.44060 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 25 0 0 0 0 0 0 0 0999 V2000 5.0731 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 1.5987 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 0.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 1.1159 -0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5911 0.2566 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 2.3253 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 1.7906 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 2.0000 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 2.2478 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 1.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1943 2.5807 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 0.5121 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 0.1847 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 0.1849 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 2.2298 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5013 2.2297 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 2.4481 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 2.4482 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.3892 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 0.3891 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 2.6525 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 2.6526 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 0.6077 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 0.6075 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 7 8 1 0 8 9 1 0 4 5 2 0 9 10 1 0 2 3 1 0 10 11 1 0 4 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 1 7 1 0 12 14 2 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 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. > 2014-06-23 > R496650 > B3LYP/6-31G* > 0.0002 debye > -796.440598542 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.4046 3.1342 32.4651 0.3773 37.8369 2.6142 56.0487 0.0000 84.2319 0.0000 98.9567 0.2681 105.1777 0.0000 133.7276 0.7979 148.2003 0.0000 166.3857 0.0000 170.9411 0.0000 184.2692 2.7839 206.9124 0.8099 318.8985 0.0000 345.9370 2.5966 433.8615 1.0712 477.4338 0.0000 605.0811 0.0000 625.9483 2.9308 702.4507 50.7386 711.8341 0.0000 747.7789 6.2732 761.5586 0.0000 763.5353 28.6036 773.1360 0.0000 823.5563 0.3822 880.0307 564.4928 883.4197 0.0002 909.2513 0.0000 1008.1601 0.0000 1010.2655 164.8302 1018.4933 0.7046 1036.7809 0.0000 1045.3772 43.6489 1069.6861 0.0000 1083.1566 2.7305 1136.1702 0.0000 1193.7697 0.0000 1218.6700 3.6683 1266.1995 1.6031 1268.0901 0.0000 1308.8615 0.0024 1319.4060 0.0000 1330.7800 0.0000 1335.0178 550.0530 1347.2516 0.0000 1349.6716 0.5317 1356.2488 0.0000 1390.1915 62.9665 1426.6151 0.0000 1439.3743 0.0000 1442.1433 16.1464 1518.7834 0.0000 1520.6447 0.8195 1527.3270 0.0000 1534.8831 2.5078 1544.9295 0.0000 1548.8180 6.1992 1754.4705 8.8106 1754.4831 695.2782 3024.5466 0.0000 3031.2344 27.0541 3050.2887 0.0000 3054.2172 0.0000 3055.7588 36.2211 3068.6419 15.4460 3074.1260 0.0003 3074.4015 45.0133 3093.2052 0.0000 3097.9662 33.6425 3128.6182 0.0002 3129.2568 81.3375 > 4.38595 GHz 0.12059 GHz 0.11788 GHz > Gaussian 09, Revision D.01 > Sejal Aggarwal $$$$