%chk=000191887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191887

0 1
O -4.555675 -0.225457 0.111557
O -4.336734 -2.289483 -0.792974
N 4.648473 -0.774624 -0.059085
N 6.195012 -1.405016 -1.974597
C 0.904415 -0.177788 -0.253560
C 0.179689 1.103076 0.279118
C -1.194686 1.147820 -0.401414
C 2.309510 -0.246807 0.391373
C -2.047961 -0.097717 0.011709
C 3.068527 1.041407 -0.078084
C 0.075730 -1.456970 -0.019996
C -1.359869 -1.346757 -0.560978
C 0.988935 2.390923 0.018143
C -3.408814 0.273732 -0.651736
C -2.134268 2.340039 -0.149215
C 2.444299 2.298324 0.516513
C 3.252206 -1.359978 -0.150743
C -3.531499 1.809301 -0.545439
C 4.539246 0.711172 0.217380
C 2.227808 -0.383166 1.917741
C -2.241904 -0.235332 1.527411
C 5.447143 -1.083023 -1.146628
C -4.923903 -1.540140 -0.047505
C -6.105212 -1.821914 0.816074
H 1.031565 -0.062227 -1.358955
H 0.043284 0.999608 1.384414
H -1.020665 1.098872 -1.508138
H 2.967289 1.120973 -1.193960
H 0.043435 -1.695918 1.061309
H 0.581049 -2.315529 -0.501268
H -1.350878 -1.313368 -1.666521
H -1.941205 -2.256910 -0.309608
H 0.484250 3.242946 0.511267
H 0.984319 2.625095 -1.063792
H -3.503601 -0.112743 -1.684098
H -1.850352 3.221473 -0.743798
H -2.113638 2.652992 0.908025
H 3.008670 3.198630 0.211262
H 2.477679 2.279744 1.621717
H 3.243432 -2.271594 0.480693
H 2.978170 -1.669711 -1.176649
H -4.293925 2.075889 0.210429
H -3.875158 2.243717 -1.497275
H 5.248618 1.312023 -0.379243
H 4.802283 0.855897 1.286738
H 3.224163 -0.429129 2.373867
H 1.696424 0.459386 2.375620
H 1.696072 -1.297937 2.204744
H -1.285008 -0.210849 2.061240
H -2.867641 0.571528 1.926743
H -2.738811 -1.179429 1.774504
H -6.944726 -1.147847 0.584749
H -5.869293 -1.674703 1.881282
H -6.451470 -2.858202 0.681736


%chk=000191887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191887

0 1
O -4.630040 -0.388404 0.172597
O -4.567024 -1.987844 -1.535691
N 4.593619 -0.731931 -0.353278
N 6.720387 -2.078058 -0.707456
C 0.873354 -0.169797 -0.153752
C 0.195817 1.157975 0.339429
C -1.253782 1.172025 -0.188932
C 2.365262 -0.209571 0.288546
C -2.096641 -0.059606 0.285615
C 3.071430 1.056568 -0.312565
C 0.054802 -1.431754 0.232785
C -1.423201 -1.353046 -0.234251
C 0.982978 2.419739 -0.113758
C -3.445034 0.316833 -0.396339
C -2.170608 2.391572 0.100297
C 2.496496 2.370489 0.232664
C 3.219523 -1.329353 -0.366600
C -3.616400 1.844317 -0.159904
C 4.574248 0.752406 -0.161995
C 2.532849 -0.308142 1.829653
C -2.284992 -0.117497 1.824771
C 5.711473 -1.440093 -0.542084
C -5.095173 -1.527706 -0.497948
C -6.307798 -2.090776 0.212954
H 0.874293 -0.119704 -1.268946
H 0.167858 1.153887 1.449043
H -1.178245 1.084921 -1.298987
H 2.854509 1.035279 -1.403595
H 0.086053 -1.584413 1.328540
H 0.529599 -2.325857 -0.218291
H -1.463427 -1.364648 -1.342494
H -1.974502 -2.249571 0.108455
H 0.523238 3.320076 0.336737
H 0.876505 2.527259 -1.214817
H -3.395041 0.062779 -1.472314
H -1.933001 3.254106 -0.546137
H -2.057518 2.729660 1.147611
H 3.011047 3.241649 -0.217700
H 2.648441 2.442430 1.327162
H 3.212825 -2.276867 0.200147
H 2.890110 -1.535804 -1.406420
H -4.279106 2.006189 0.708123
H -4.094627 2.327288 -1.029351
H 5.192662 1.253805 -0.928283
H 4.965470 1.028551 0.837612
H 3.599728 -0.348154 2.112304
H 2.075243 0.541365 2.363711
H 2.061740 -1.232124 2.208899
H -1.326747 -0.259559 2.352014
H -2.754631 0.799018 2.221946
H -2.944582 -0.962904 2.088852
H -7.095923 -1.322027 0.288072
H -6.040757 -2.387223 1.242402
H -6.687959 -2.963455 -0.336955


