%chk=000215402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215402

0 1
O -2.951223 -1.540121 2.154660
O 4.660135 1.633005 -1.870703
N -0.479004 -0.283669 -0.300939
N 3.172147 0.425795 -0.632322
N -4.727418 0.617910 -1.544953
C 1.976326 1.071948 -1.237380
C 1.067184 1.653984 -0.138294
C 1.192857 0.066896 -2.104854
C 0.309079 0.573722 0.645146
C 0.432293 -0.975444 -1.273304
C -1.300082 -1.290730 0.442753
C -2.479957 -0.596775 1.171967
C -3.580006 -0.155496 0.269556
C -4.968287 -0.016209 0.645667
C 4.465142 0.781025 -1.019091
C -3.462734 0.242561 -1.053648
C -5.670110 0.465110 -0.510443
C -5.683633 -0.239597 1.836763
C 5.558520 0.029427 -0.319235
C -7.057615 0.707635 -0.494594
C -7.046700 0.002195 1.849315
C -7.726342 0.468656 0.693708
C 6.509735 -0.646803 -1.094325
C 5.654248 0.032277 1.077993
C 7.549071 -1.338364 -0.465551
C 6.698832 -0.656972 1.700620
C 7.642658 -1.344825 0.930145
H 2.343309 1.911619 -1.895546
H 0.335441 2.337469 -0.617565
H 1.656469 2.278264 0.559719
H 1.875795 -0.443847 -2.810142
H 0.473019 0.634371 -2.729534
H 1.011114 -0.011619 1.276303
H -0.411014 1.062719 1.341408
H -0.196258 -1.595386 -1.950084
H 1.147358 -1.667392 -0.779185
H -1.704433 -2.030398 -0.281172
H -0.723061 -1.872672 1.195266
H -2.123746 0.249098 1.811883
H 3.005219 -0.313189 0.040510
H -2.571964 0.295370 -1.663577
H -3.546868 -2.201114 1.746125
H -4.921174 0.956461 -2.466093
H -5.151919 -0.589446 2.722670
H -7.572747 1.068021 -1.377860
H -7.620529 -0.162024 2.759163
H -8.799895 0.641972 0.755652
H 6.441454 -0.621132 -2.183225
H 4.927782 0.579500 1.677872
H 8.289680 -1.866537 -1.064517
H 6.779769 -0.654523 2.786543
H 8.455180 -1.882127 1.418133


%chk=000215402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215402

0 1
O -3.010436 -2.337057 1.622051
O 4.507128 0.676518 -2.400249
N -0.488439 -0.524234 -0.604023
N 3.042101 0.571192 -0.604472
N -4.669687 0.806522 -1.367962
C 1.891313 1.067084 -1.393015
C 0.796376 1.612569 -0.451146
C 1.290527 -0.042364 -2.296938
C 0.072065 0.488882 0.322856
C 0.574014 -1.119111 -1.464679
C -1.247903 -1.593454 0.096595
C -2.447864 -1.124719 0.957648
C -3.521775 -0.364403 0.222667
C -4.827442 -0.003853 0.763286
C 4.298794 0.430383 -1.166890
C -3.467631 0.150862 -1.074903
C -5.526318 0.728654 -0.260503
C -5.473764 -0.232185 2.008487
C 5.405206 -0.033615 -0.251014
C -6.830608 1.236929 -0.074305
C -6.772280 0.277905 2.202193
C -7.444388 1.003060 1.173346
C 6.564105 -0.584159 -0.855277
C 5.350425 0.081206 1.163307
C 7.638944 -1.035271 -0.061801
C 6.429072 -0.366139 1.957847
C 7.572982 -0.931570 1.348139
H 2.282566 1.872240 -2.041199
H 0.047830 2.144521 -1.066409
H 1.226607 2.342597 0.260715
H 2.095579 -0.492666 -2.903651
H 0.565534 0.427323 -2.988993
H 0.768780 0.010978 1.067917
H -0.751136 0.937092 0.905919
H 0.099471 -1.860388 -2.134160
H 1.326443 -1.673745 -0.844639
H -1.629899 -2.289770 -0.676407
H -0.589667 -2.189681 0.777483
H -2.085497 -0.543234 1.826196
H 2.875504 0.256483 0.352343
H -2.631248 0.122522 -1.769600
H -3.619492 -2.779809 0.975994
H -4.883665 1.271961 -2.247030
H -4.966527 -0.802765 2.792752
H -7.351334 1.792070 -0.862779
H -7.282570 0.113181 3.157843
H -8.455922 1.383066 1.355593
H 6.597371 -0.637069 -1.948443
H 4.491401 0.553463 1.655755
H 8.527241 -1.464008 -0.538481
H 6.382424 -0.264574 3.047719
H 8.408785 -1.278821 1.965721


