%chk=000187014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187014

0 1
O 2.986206 -0.620363 1.398826
O -1.306971 3.603729 -0.267961
N -0.269611 1.921092 0.655113
N -0.256786 3.099315 0.032847
C -1.899998 0.210156 -0.165967
C -1.502675 1.145481 0.986205
C -3.095390 -0.665420 0.224885
C 1.049022 1.296424 0.952434
C -3.512606 -1.589343 -0.928255
C 1.484658 0.353574 -0.179155
C 2.658424 -0.510252 0.239833
C -4.701234 -2.466778 -0.543492
C 3.377294 -1.202982 -0.899640
C 4.116967 -2.447959 -0.426948
H -1.034729 -0.426383 -0.453293
H -2.145393 0.811775 -1.064996
H -2.327003 1.870171 1.190537
H -1.336069 0.574391 1.923589
H -2.850572 -1.270522 1.119227
H -3.952174 -0.027077 0.518625
H 1.815035 2.093648 1.101191
H 0.985927 0.737528 1.916476
H -3.769005 -0.984617 -1.820806
H -2.659420 -2.227819 -1.229461
H 0.632060 -0.307592 -0.472509
H 1.721352 0.937060 -1.091429
H -4.994321 -3.121779 -1.372002
H -4.471405 -3.107984 0.315090
H -5.578486 -1.865572 -0.277313
H 2.676382 -1.462069 -1.717394
H 4.096968 -0.481096 -1.345185
H 4.769047 -2.849358 -1.210248
H 4.742123 -2.226854 0.451965
H 3.422681 -3.242524 -0.127688


%chk=000187014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187014

0 1
O 3.421016 -0.413536 1.458443
O -1.547073 3.290447 -0.159300
N -0.232681 1.626060 0.586123
N -0.334480 2.894069 0.037203
C -2.107969 0.134130 -0.260691
C -1.431604 0.833602 0.944527
C -3.361171 -0.657777 0.175153
C 1.139661 1.164579 0.849949
C -4.063501 -1.365240 -1.006687
C 1.586088 0.022641 -0.090127
C 2.960466 -0.544372 0.293027
C -5.314557 -2.158422 -0.571567
C 3.721622 -1.277932 -0.811154
C 4.953095 -2.053576 -0.313617
H -1.388511 -0.550847 -0.752323
H -2.389870 0.902306 -1.003986
H -2.158895 1.533373 1.400487
H -1.126152 0.093299 1.706460
H -3.081280 -1.413805 0.939001
H -4.079761 0.031563 0.664561
H 1.796200 2.041607 0.719473
H 1.232438 0.830082 1.898877
H -4.347638 -0.607741 -1.764503
H -3.344704 -2.048735 -1.503482
H 0.866054 -0.821152 -0.037175
H 1.589890 0.357665 -1.144645
H -5.798439 -2.653932 -1.433030
H -5.052627 -2.941089 0.165348
H -6.062405 -1.492435 -0.101655
H 3.010970 -1.941764 -1.345525
H 4.018743 -0.513132 -1.561021
H 5.485240 -2.525095 -1.158378
H 5.651165 -1.381556 0.213194
H 4.660966 -2.843283 0.400142


