%chk=000277222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277222

0 1
O -0.373269 0.695349 2.265163
O -3.294178 2.364689 -0.805524
N -1.814781 1.518803 0.715366
N -1.970699 0.604596 -1.540168
N -0.640644 -1.140100 -2.251809
C -0.307555 -0.412861 0.105258
C 1.179762 -0.162895 -0.133639
C -0.634842 -1.792644 0.725523
C 1.534847 1.251073 -0.512676
C -1.022115 -0.281054 -1.252528
C -0.804193 0.635169 1.133085
C 2.091160 -1.142926 -0.040776
C 2.147538 2.021553 0.669892
C -2.104443 -2.097162 0.735310
C 3.558122 -0.960968 -0.285489
C -2.434978 1.544115 -0.604015
C 2.445254 3.470422 0.298173
C 4.253088 -2.264156 -0.672933
C -2.604191 -3.286963 0.410106
H -0.258017 -1.807620 1.779182
H -0.065258 -2.590602 0.206645
H 0.655410 1.805469 -0.899004
H 2.253354 1.242382 -1.360940
H 1.810841 -2.159278 0.246590
H 1.459955 1.987338 1.542057
H 3.073677 1.518619 1.009205
H -2.146348 2.214883 1.400437
H -2.749282 -1.274640 1.055447
H 3.735829 -0.194695 -1.071502
H 4.024558 -0.545467 0.636674
H -1.089795 -1.097354 -3.158056
H 0.089780 -1.816300 -2.116581
H 2.881376 4.011718 1.146513
H 3.152641 3.543181 -0.535070
H 1.536244 4.009677 0.005275
H 4.174328 -3.019614 0.117806
H 5.322135 -2.099570 -0.856053
H 3.829405 -2.694587 -1.586968
H -3.663745 -3.506280 0.441256
H -2.011572 -4.132302 0.093570


%chk=000277222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277222

0 1
O -0.371542 0.774169 2.279981
O -3.763209 1.833571 -0.698014
N -2.006005 1.308510 0.722975
N -2.101171 0.396020 -1.524812
N -0.425485 -1.006610 -2.263033
C -0.300008 -0.413600 0.125101
C 1.219001 -0.162963 -0.060162
C -0.635184 -1.836369 0.730961
C 1.597271 1.246088 -0.520602
C -0.998138 -0.291319 -1.249665
C -0.871707 0.616091 1.131814
C 2.143741 -1.143840 0.150065
C 2.225069 2.129174 0.597391
C -2.112271 -2.093221 0.941550
C 3.643171 -1.029516 -0.040955
C -2.694743 1.191190 -0.540688
C 2.568244 3.544689 0.088167
C 4.237025 -2.253249 -0.783030
C -2.814911 -3.073771 0.323152
H -0.104947 -1.884091 1.701918
H -0.218891 -2.615393 0.067245
H 0.705200 1.768286 -0.921558
H 2.317546 1.190941 -1.361918
H 1.816590 -2.125343 0.520537
H 1.528921 2.187053 1.452947
H 3.139704 1.635082 0.977593
H -2.433244 1.951651 1.398991
H -2.622405 -1.448011 1.671849
H 3.905783 -0.101013 -0.579927
H 4.124565 -0.953042 0.956660
H -0.870419 -0.985533 -3.180670
H 0.479950 -1.456366 -2.129516
H 3.018335 4.156822 0.890727
H 3.287539 3.508375 -0.752468
H 1.662918 4.071724 -0.267723
H 4.008036 -3.193196 -0.246730
H 5.335847 -2.170783 -0.864106
H 3.826526 -2.338421 -1.806256
H -3.880125 -3.229143 0.524816
H -2.347175 -3.745648 -0.407804


