%chk=000213001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213001

0 1
O -2.210651 0.361659 -0.649709
O 2.204572 0.346577 -0.693547
O -3.152710 -0.880623 1.044632
O 3.170866 -0.902646 0.981972
N -3.741362 -1.201461 -1.184907
N 3.714962 -1.225704 -1.258460
C 0.005892 0.090270 0.320100
C -1.258157 0.963439 0.280979
C 1.274745 0.954868 0.255597
C 0.015146 -0.811818 1.550985
C -3.058629 -0.605742 -0.132401
C 3.056104 -0.626414 -0.192915
H -0.005529 -0.557098 -0.601705
H -1.104816 1.949450 -0.193924
H -1.737789 1.080339 1.269780
H 1.118557 1.941741 -0.216657
H 1.774592 1.068802 1.234673
H 0.903174 -1.461730 1.563285
H 0.026219 -0.243789 2.487892
H -0.876585 -1.456028 1.580901
H -3.677273 -0.820847 -2.116340
H -4.547458 -1.773098 -0.978341
H 3.635698 -0.844311 -2.188370
H 4.520331 -1.803734 -1.067521


%chk=000213001-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213001

0 1
O -2.467782 0.166767 -0.556765
O 2.461942 0.149068 -0.603855
O -3.221999 -0.139860 1.667551
O 3.262253 -0.160463 1.603909
N -4.423899 -0.922907 -0.190731
N 4.419035 -0.951839 -0.279317
C -0.001760 0.003102 -0.424167
C -1.243956 0.845773 -0.068259
C 1.252940 0.835873 -0.089757
C -0.000862 -1.357825 0.302098
C -3.368110 -0.292015 0.430315
C 3.380659 -0.314298 0.363936
H -0.011702 -0.169778 -1.519151
H -1.226577 1.824260 -0.581519
H -1.334668 0.994373 1.024112
H 1.232720 1.816089 -0.599671
H 1.365848 0.980475 1.001072
H 0.888607 -1.948083 0.020725
H 0.006060 -1.223258 1.399248
H -0.896730 -1.943505 0.031648
H -4.459208 -0.991298 -1.204741
H -5.170615 -1.302219 0.383861
H 4.431924 -1.021140 -1.293798
H 5.175779 -1.335187 0.279254