NIST 06151410303D 1 1.00000 -606.07519 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 25 0 0 0 0 0 0 0 0999 V2000 5.1543 -0.7282 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -0.7918 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 0.1975 0.3198 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4038 1.2685 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 1.3202 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6013 0.3319 -0.6511 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 2.3990 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 3.0967 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 4.2272 0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 4.1753 1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1276 5.1636 0.8185 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 6.2238 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 6.2875 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 5.2982 -0.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8543 -1.5449 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 -1.6619 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 2.1886 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 3.1418 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5194 1.9973 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 2.3538 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 3.4984 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 3.3069 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 7.0405 -0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9794 7.1577 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 7 8 1 0 8 9 1 0 1 6 2 0 6 5 1 0 5 4 2 0 4 3 1 0 3 2 2 0 1 2 1 0 9 14 2 0 14 13 1 0 13 12 2 0 12 11 1 0 11 10 2 0 9 10 1 0 1 15 1 0 2 16 1 0 5 17 1 0 7 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 10 22 1 0 12 23 1 0 13 24 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. > 2014-06-15 > R87996 > B3LYP/6-31G* > 0.0000 debye > -606.075190175 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.3518 0.0713 37.1992 0.0217 51.1370 0.0000 64.7258 0.0352 126.7980 0.0000 223.2550 0.0000 260.1489 2.7883 311.3750 0.0000 390.1458 1.7293 417.4825 0.0000 423.2610 33.9632 483.1892 0.0000 547.2424 1.9831 574.3013 2.1708 622.0342 0.0000 647.4724 3.5836 699.1184 0.0000 773.0448 1.5016 784.0644 0.0000 793.9744 3.4771 845.5888 0.0000 849.3718 1.0205 867.0251 20.6309 902.6262 0.0000 961.0538 0.0000 962.5071 0.3204 984.1647 0.0000 984.5524 0.0236 1009.3938 0.0000 1031.3081 0.0000 1034.3579 52.7180 1041.5198 0.0000 1087.8369 22.6118 1089.6075 0.0000 1149.0322 4.3849 1211.1122 0.0000 1217.1395 12.9824 1242.0695 0.0000 1254.5164 3.1395 1259.8259 28.7549 1267.0831 0.0000 1311.7750 0.0000 1314.8940 6.8733 1354.1699 22.3876 1357.4254 0.0000 1392.2172 0.0000 1448.2878 82.9982 1448.6546 0.0002 1509.2610 0.0000 1519.2250 42.9305 1522.0667 0.0000 1522.6989 5.5692 1590.7219 18.2620 1592.9799 0.0000 1630.5954 0.0000 1631.4462 12.7650 3052.8946 0.0000 3063.2649 26.9329 3103.3351 0.0000 3122.3772 13.5445 3173.4737 16.9272 3173.4974 0.1522 3177.2157 0.0039 3177.3728 53.9430 3193.5745 80.0686 3193.7620 0.0104 > 2.65557 GHz 0.27375 GHz 0.25311 GHz > Gaussian 09, Revision D.01 > Sonia Dermer $$$$