%chk=000115501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115501

0 1
O -0.026751 0.265614 -1.573584
N 2.235053 -1.132999 0.128500
N 3.927896 1.218598 -0.233710
N -0.751423 0.276954 0.604762
C 1.677443 0.264172 0.177998
C 2.519331 1.183003 -0.743156
C 3.659138 -1.096804 0.605632
C 4.497626 -0.166526 -0.291791
C 1.411361 -2.090022 0.944409
C 4.748019 2.188616 -1.036087
C 0.240438 0.262168 -0.389291
C 1.935850 -3.519174 0.807944
C 6.072334 2.471270 -0.326185
C -2.165359 0.203719 0.328277
C -3.010321 1.234552 0.801184
C -2.703470 -0.899515 -0.374343
C -4.389496 1.141149 0.586883
C -4.088245 -0.959633 -0.583985
C -4.932771 0.050915 -0.108476
C -2.450452 2.413377 1.531140
C -1.828850 -1.981732 -0.909250
C -6.409001 -0.038524 -0.326719
H 1.699121 0.687824 1.215956
H 2.433593 0.820130 -1.794712
H 2.101484 2.211498 -0.714706
H 4.071481 -2.126715 0.535907
H 3.747035 -0.774632 1.666194
H 5.540486 -0.134011 0.089000
H 4.533634 -0.575649 -1.325676
H 1.349262 -1.805655 2.015983
H 0.365541 -2.069056 0.533949
H 4.936490 1.840127 -2.074807
H 4.169971 3.136803 -1.117965
H 2.130895 -3.765900 -0.246012
H 2.868372 -3.677845 1.359645
H 1.201785 -4.240069 1.184803
H -0.508684 0.388406 1.585346
H 5.906936 2.695031 0.736857
H 6.756998 1.617857 -0.374029
H 6.579918 3.332068 -0.774029
H -5.045426 1.926355 0.954688
H -4.508516 -1.802194 -1.128865
H -1.597451 2.851161 0.991193
H -3.189817 3.216442 1.654823
H -2.106321 2.137317 2.536642
H -1.031570 -2.272076 -0.200183
H -2.380298 -2.888029 -1.179972
H -1.307660 -1.622030 -1.820810
H -6.881235 0.950540 -0.393341
H -6.660672 -0.575628 -1.251131
H -6.891601 -0.575343 0.503201


%chk=000115501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115501

0 1
O 0.018946 -0.574688 -1.579296
N 2.450506 -1.346732 0.131833
N 3.734103 1.261583 -0.114867
N -0.774599 0.017205 0.547324
C 1.662400 -0.090007 0.200914
C 2.364560 1.016925 -0.623175
C 3.834555 -1.103318 0.611906
C 4.519764 0.006829 -0.198354
C 1.784017 -2.478228 0.828189
C 4.373750 2.410795 -0.806924
C 0.237352 -0.265121 -0.373961
C 2.469247 -3.833742 0.575876
C 5.687333 2.865211 -0.144653
C -2.186327 0.111358 0.274099
C -2.843384 1.334076 0.603243
C -2.911640 -0.987930 -0.266768
C -4.231710 1.446425 0.366857
C -4.298507 -0.819046 -0.502008
C -4.979375 0.381924 -0.193492
C -2.064535 2.504669 1.178936
C -2.249682 -2.316682 -0.565887
C -6.474348 0.516187 -0.427656
H 1.593096 0.271318 1.264904
H 2.353532 0.692878 -1.691444
H 1.783873 1.955582 -0.540511
H 4.416460 -2.034327 0.501763
H 3.843605 -0.814221 1.695036
H 5.528109 0.178564 0.217445
H 4.631418 -0.333882 -1.259057
H 1.712859 -2.292134 1.933315
H 0.750019 -2.536508 0.443211
H 4.558831 2.182939 -1.889089
H 3.650761 3.249001 -0.778446
H 2.592045 -3.996843 -0.509139
H 3.461636 -3.904068 1.055361
H 1.847383 -4.651181 0.984358
H -0.460541 0.348267 1.463879
H 5.525447 3.060053 0.930271
H 6.488903 2.111487 -0.243313
H 6.049466 3.795224 -0.619842
H -4.736680 2.389387 0.611651
H -4.860941 -1.659324 -0.928299
H -1.193940 2.761828 0.546664
H -2.704840 3.398984 1.257935
H -1.676589 2.293005 2.196351
H -1.621120 -2.649138 0.282142
H -3.004034 -3.097461 -0.762050
H -1.583667 -2.230632 -1.443650
H -6.759123 1.563227 -0.633354
H -6.806756 -0.101581 -1.280319
H -7.049536 0.187766 0.460192


