%chk=000279901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279901

0 1
O 0.892649 0.801248 -2.541973
O -0.352905 -1.432827 -2.146829
N -0.034882 -2.454740 -0.165325
N -3.543828 0.366238 1.066359
C 0.056744 0.097170 -0.319632
C -0.026581 1.146351 -1.497125
C -1.119338 0.367847 0.643577
C 1.418581 0.182104 0.351560
C -0.113098 -1.310787 -0.939789
C -2.502418 0.123646 0.013460
C 0.376009 2.571724 -1.094242
C 1.580814 0.573658 1.688337
C 2.560956 -0.132868 -0.407187
C -0.803142 3.536958 -1.130734
C 2.856767 0.627198 2.260092
C 3.831611 -0.078994 0.165905
C 0.295285 -2.476705 1.273535
C -0.154601 -3.778930 -0.821392
C -4.802529 -0.367047 0.734930
C -3.824910 1.825391 1.218316
C 3.984055 0.296142 1.505277
H -1.055861 1.105511 -1.926100
H -1.055660 1.411607 1.013624
H -1.027427 -0.276861 1.549305
H -2.634029 0.753836 -0.893886
H -2.576461 -0.931728 -0.332455
H 1.168720 2.910164 -1.801519
H 0.858704 2.592394 -0.098722
H 0.724079 0.849169 2.300213
H 2.449126 -0.388941 -1.466336
H -0.492040 4.545495 -0.832966
H -1.608072 3.227216 -0.455035
H -1.226938 3.615883 -2.139770
H 0.568617 -0.012543 -3.024509
H 2.968475 0.933081 3.298897
H 4.706652 -0.323253 -0.434755
H 1.373199 -2.294228 1.438903
H 0.035947 -3.448151 1.723304
H -0.277565 -1.695535 1.817757
H 0.774459 -4.359970 -0.708870
H -0.348273 -3.652857 -1.907341
H -0.994423 -4.347531 -0.391801
H -5.535915 -0.202271 1.540611
H -5.269231 -0.081612 -0.219017
H -4.591250 -1.448305 0.709331
H -2.894568 2.345503 1.497432
H -4.239375 2.313380 0.324097
H -4.534949 1.966686 2.049044
H 4.974820 0.337086 1.952242


%chk=000279901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279901

0 1
O 0.819437 0.950610 -2.579846
O -0.440282 -1.333822 -2.220621
N -0.104695 -2.402033 -0.206648
N -3.585772 -0.105758 1.158222
C 0.021013 0.160050 -0.296919
C -0.068653 1.257940 -1.459872
C -1.171613 0.395502 0.694090
C 1.400802 0.270055 0.382708
C -0.170087 -1.246064 -0.964449
C -2.580594 0.161327 0.097170
C 0.293984 2.684174 -1.008164
C 1.581346 0.895767 1.644201
C 2.554849 -0.204452 -0.298869
C -0.076893 3.728723 -2.081886
C 2.868052 1.034095 2.212666
C 3.840206 -0.068701 0.266967
C 0.178131 -2.504425 1.236136
C -0.375209 -3.697133 -0.866661
C -4.860132 -0.589913 0.584626
C -3.803081 1.052375 2.051717
C 4.005298 0.550557 1.527816
H -1.119920 1.239081 -1.820087
H -1.103480 1.427904 1.081990
H -1.080897 -0.275764 1.566287
H -2.883309 1.034370 -0.536907
H -2.565475 -0.722137 -0.567544
H 1.381136 2.718429 -0.812591
H -0.216065 2.930088 -0.056937
H 0.719118 1.281020 2.197643
H 2.443399 -0.664793 -1.285339
H 0.249962 4.741282 -1.781834
H -1.170649 3.761602 -2.250631
H 0.408901 3.472355 -3.038454
H 0.461772 0.088421 -2.946697
H 2.980005 1.520884 3.188428
H 4.714679 -0.439516 -0.279850
H 0.836624 -3.375806 1.407483
H -0.755199 -2.652768 1.813559
H 0.700845 -1.613572 1.605870
H 0.529318 -4.334386 -0.844168
H -0.664115 -3.509449 -1.910311
H -1.193184 -4.224915 -0.340948
H -5.556692 -0.857806 1.399312
H -5.368362 0.163553 -0.069688
H -4.675025 -1.495521 -0.020054
H -2.865957 1.320626 2.568355
H -4.173123 1.960591 1.509294
H -4.547898 0.786851 2.822906
H 5.003486 0.656503 1.967328


