%chk=000208782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208782

0 1
O 1.403653 0.990373 3.048530
N -0.128453 2.105400 -1.274889
N -2.836228 1.278489 -0.713333
N 1.798064 0.696274 -1.010313
N 0.616586 1.467166 0.947730
C -0.840594 1.238872 -2.273788
C -1.045694 3.088107 -0.620125
C -2.380312 1.301294 -2.130148
C -2.278044 2.440254 0.046164
C 2.747430 0.091712 -0.179337
C 3.940011 -0.685459 -0.664569
C 4.635228 -1.129537 0.652081
C 3.789748 -0.577120 1.833862
C 2.658283 0.157817 1.182109
C 0.727987 1.398075 -0.359753
C -2.768805 -0.022095 -0.088688
C 1.571570 0.872486 1.856639
C -3.397654 -1.100611 -0.749487
C -2.204450 -0.232995 1.183567
C -3.457221 -2.353083 -0.138797
C -2.272848 -1.490803 1.781202
C -2.895535 -2.557571 1.125211
H -0.512037 0.180306 -2.201981
H -0.541492 1.613134 -3.278710
H -1.350853 3.805063 -1.414713
H -0.474473 3.672627 0.138526
H -2.777414 2.233334 -2.592726
H -2.843713 0.459509 -2.690334
H -2.016241 2.149441 1.095066
H -3.100942 3.186374 0.121682
H 3.643447 -1.555187 -1.277892
H 4.611155 -0.067390 -1.287265
H 5.666079 -0.742855 0.696722
H 4.704866 -2.228042 0.703341
H 4.380389 0.094979 2.483603
H 3.415504 -1.388085 2.485868
H 1.915484 0.713133 -2.018029
H -3.859553 -0.952002 -1.722543
H -1.699862 0.587034 1.708771
H -3.950694 -3.177403 -0.651900
H -1.830497 -1.639352 2.766939
H -2.945476 -3.535264 1.595710


%chk=000208782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208782

0 1
O 2.183212 1.751358 3.077821
N -0.251464 1.945034 -0.955010
N -2.849917 1.258763 -0.798470
N 1.631360 0.490523 -0.804889
N 0.954571 1.836089 1.071332
C -0.774914 1.275800 -2.166276
C -1.095016 3.018489 -0.394047
C -2.339193 1.388565 -2.175572
C -2.506782 2.461649 -0.003751
C 2.693011 -0.028014 -0.062748
C 3.667429 -1.083574 -0.538608
C 4.764394 -1.034853 0.580755
C 4.092695 -0.367020 1.829412
C 2.912920 0.371364 1.232877
C 0.785230 1.429270 -0.183751
C -2.863379 -0.043221 -0.208755
C 2.029268 1.355752 1.881177
C -3.498772 -1.112056 -0.908214
C -2.287709 -0.322776 1.065319
C -3.552580 -2.407873 -0.356372
C -2.365394 -1.619881 1.617322
C -2.991990 -2.674623 0.915590
H -0.520318 0.199206 -2.126543
H -0.354014 1.708929 -3.099827
H -1.190782 3.820068 -1.151929
H -0.575031 3.418259 0.489634
H -2.655691 2.366707 -2.582486
H -2.752437 0.609739 -2.835025
H -2.548651 2.221883 1.068173
H -3.265520 3.247273 -0.196562
H 3.172856 -2.075187 -0.584956
H 4.082986 -0.878197 -1.543838
H 5.605066 -0.406406 0.236110
H 5.165745 -2.037987 0.803582
H 4.777078 0.310735 2.368857
H 3.748946 -1.118112 2.567579
H 1.534804 0.265262 -1.795052
H -3.987024 -0.914601 -1.869501
H -1.745186 0.451934 1.616864
H -4.056003 -3.207095 -0.913050
H -1.912418 -1.805887 2.597950
H -3.044988 -3.678892 1.348883


