%chk=000189491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189491

0 1
O -4.502524 -0.114759 1.424965
O -6.533160 1.521644 -0.523868
O -5.637905 -2.057918 -1.486485
O 2.007018 -1.315210 -0.270870
O 3.509696 -3.114829 -2.258111
N -2.264339 0.136385 0.801909
N -0.707041 -1.543950 1.064994
N -0.933191 1.669054 -0.657124
N 1.327706 0.758462 -1.141375
N 0.581920 2.791266 -2.083013
C -3.544893 0.870273 0.995112
C -5.359514 0.730075 -0.655408
C -4.088867 1.514868 -0.284265
C -5.392118 -0.466629 0.329828
C -4.886505 -1.771394 -0.306136
C -1.140382 0.527808 0.071464
C -1.933306 -1.143134 1.389403
C -0.173281 -0.534748 0.245825
C 1.078016 -0.352117 -0.401085
C 3.348023 -1.118272 -0.879614
C 0.313171 1.716928 -1.254225
C 4.196064 -0.287173 0.045024
C 3.839455 -2.573342 -0.978814
C 3.996869 -0.335618 1.431742
C 5.204183 0.526705 -0.491210
C 4.805561 0.426428 2.278731
C 6.013407 1.282661 0.361364
C 5.815649 1.233608 1.745332
H -3.439827 1.556943 1.869250
H -5.401174 0.409806 -1.723364
H -3.354430 1.505790 -1.119082
H -4.307171 2.589605 -0.139482
H -6.379619 -0.587324 0.821184
H -4.936711 -2.615422 0.403007
H -3.847269 -1.676456 -0.683086
H -6.612688 1.907396 0.373797
H -2.650478 -1.658495 2.015868
H -6.560368 -2.301396 -1.261692
H 3.217631 -0.658410 -1.886997
H 4.945752 -2.631622 -0.952956
H 3.408533 -3.198780 -0.172857
H 3.201534 -0.962086 1.841267
H 5.356867 0.573700 -1.568604
H -0.034400 3.589978 -2.066553
H 1.530220 2.941021 -2.396375
H 4.647515 0.390516 3.355612
H 6.798101 1.912755 -0.054132
H 6.446659 1.824736 2.406695
H 2.538510 -3.252930 -2.326892


%chk=000189491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189491

0 1
O -4.627247 -0.195734 1.321885
O -6.484813 1.872974 0.043105
O -6.001959 -1.864127 -1.808917
O 2.059865 -1.418490 -0.152069
O 3.165275 -3.470908 -1.689762
N -2.308513 -0.053267 0.698693
N -0.751006 -1.712860 1.048054
N -0.930581 1.531987 -0.624576
N 1.344419 0.671214 -1.004796
N 0.667934 2.747313 -1.841888
C -3.561948 0.722814 0.882990
C -5.534042 0.932482 -0.568196
C -4.060663 1.399021 -0.426093
C -5.543568 -0.425922 0.156105
C -5.064601 -1.613595 -0.705958
C -1.139896 0.372852 0.057436
C -2.004508 -1.301930 1.290734
C -0.190077 -0.674729 0.277435
C 1.087741 -0.455338 -0.305504
C 3.408710 -1.176438 -0.774586
C 0.340954 1.614443 -1.131995
C 4.254407 -0.240180 0.066058
C 3.993178 -2.599859 -0.861493
C 4.304740 -0.377155 1.476438
C 5.058575 0.739980 -0.564063
C 5.148423 0.456742 2.242464
C 5.911522 1.566647 0.200280
C 5.958405 1.426952 1.606939
H -3.409379 1.435066 1.713301
H -5.863363 0.847456 -1.613995
H -3.452289 1.074178 -1.283780
H -4.000986 2.496212 -0.375828
H -6.534295 -0.637903 0.596130
H -4.930086 -2.507156 -0.063631
H -4.103924 -1.392056 -1.198402
H -6.288760 1.933141 1.014379
H -2.747605 -1.842694 1.869023
H -6.845913 -2.236276 -1.447709
H 3.244701 -0.766883 -1.786827
H 4.979772 -2.562930 -1.351753
H 4.117102 -3.008842 0.163149
H 3.663836 -1.117140 1.969300
H 5.011471 0.858264 -1.653592
H -0.026268 3.479803 -1.957363
H 1.612804 2.848692 -2.200307
H 5.176077 0.350533 3.332774
H 6.531309 2.321438 -0.296735
H 6.615201 2.071157 2.202282
H 2.256766 -3.482552 -1.290440


