Acridine NIST 06141322203D 1 1.00000 -555.57042 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 23 25 0 0 0 0 0 0 0 0999 V2000 -1.8074 -0.7992 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9546 -1.8851 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 -0.6422 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 0.0542 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 -2.7348 0.6605 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 -2.0621 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 -1.5157 -0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -0.1509 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -2.5679 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2669 -1.2216 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -1.4155 -1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -3.4727 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 -2.3035 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 -3.3433 -0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.1638 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 0.8689 -1.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -2.8830 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 0.5023 -0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2241 -1.3660 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -0.6208 -2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -4.2557 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 -2.2212 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -4.0369 0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 7 11 2 0 11 13 1 0 13 14 2 0 14 12 1 0 12 9 2 0 7 9 1 0 9 5 1 0 5 2 2 0 2 6 1 0 6 10 2 0 10 8 1 0 8 4 2 0 4 1 1 0 3 1 2 0 2 1 1 0 3 15 1 0 4 16 1 0 6 17 1 0 8 18 1 0 10 19 1 0 11 20 1 0 12 21 1 0 13 22 1 0 14 23 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. > 2013-06-14 > 260-94-6 > Acridine 10-Azaanthracene 2,3-Benzoquinoline 9-Azaanthracene > B3LYP/6-31G* > 1.8630 debye > -555.570423483 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 94.4142 1.5637 118.9604 0.0000 240.6577 2.5233 241.3053 0.0009 278.7119 1.5288 395.9951 1.6849 408.6906 0.0013 422.1901 0.2442 485.2206 3.0875 491.8617 0.0013 513.2295 0.0001 533.6055 1.9985 596.9334 0.0059 615.7564 9.5626 632.6209 2.9181 664.4534 3.6787 755.5610 0.5467 756.9442 77.5481 765.2755 0.0007 783.3649 0.0008 804.6380 7.8631 831.7764 2.8923 877.3865 11.1680 879.6036 0.0003 915.6153 0.0968 931.4035 17.4113 932.6738 1.1063 966.7758 0.0237 971.2313 6.8313 999.9875 0.0278 1000.2360 0.1774 1032.2109 4.1994 1035.9113 0.0114 1142.2767 0.3603 1170.5304 2.5175 1173.0275 9.6084 1194.4097 0.0282 1206.3928 1.5394 1245.8463 0.4221 1295.6923 1.0964 1312.5109 0.8651 1347.9429 0.5138 1349.3730 4.2825 1405.3064 2.9146 1435.4783 0.8124 1438.9526 6.0966 1489.5997 1.8437 1512.3773 3.8083 1532.2802 1.7812 1574.3266 35.5928 1604.7690 8.8056 1634.9340 8.4012 1673.4459 15.8781 1691.2135 5.6818 3172.4761 6.4514 3179.3527 0.6780 3180.0868 9.1576 3191.8362 8.9754 3192.1252 18.8950 3206.6644 42.7649 3206.9459 17.2156 3219.8793 25.1445 3220.4217 9.8876 > 2.15312 GHz 0.46516 GHz 0.38252 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$