%chk=000192491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192491

0 1
O -1.803642 -0.926410 -3.167925
O -0.609236 -2.131043 -1.716201
N 3.397954 1.222133 1.927880
N 4.652634 2.347971 0.476519
N 3.397239 2.554801 2.274349
N 4.141360 3.185819 1.411256
C 4.480909 -0.166141 0.032206
C 3.368032 -0.475478 -0.982435
C 2.621341 0.208262 2.669829
C 4.199949 1.090442 0.764664
C 3.643052 -1.790845 -1.722526
C 1.276840 -0.038545 2.026917
C -1.232047 -0.508967 0.873157
C 0.935708 -1.326058 1.591907
C 0.362779 1.015408 1.882968
C -2.572610 -0.745904 0.290046
C -0.315027 -1.560673 1.015881
C -0.886913 0.781111 1.308897
C 2.527381 -2.112637 -2.712673
C -2.757355 -1.176982 -1.037007
C -3.704065 -0.507374 1.090225
C -4.053868 -1.338132 -1.555743
C -4.988497 -0.689935 0.576933
C -5.166332 -1.101641 -0.749443
C -1.608656 -1.479134 -1.920958
H 5.456635 -0.064148 -0.501074
H 4.611271 -1.012562 0.738332
H 3.284086 0.358342 -1.708997
H 2.384337 -0.526401 -0.473095
H 2.475992 0.565187 3.723239
H 3.227088 -0.726876 2.731708
H 4.611734 -1.729862 -2.256958
H 3.746161 -2.621455 -0.997203
H 1.641044 -2.150313 1.690699
H 0.631399 2.021754 2.213790
H -0.569936 -2.559743 0.652173
H -1.593398 1.603663 1.191597
H 2.432780 -1.339239 -3.481936
H 1.550107 -2.197616 -2.210415
H 2.711007 -3.064961 -3.221686
H -3.570634 -0.180481 2.122294
H -4.180966 -1.644555 -2.597143
H -5.857746 -0.507178 1.210401
H -6.170258 -1.232967 -1.151532
H -1.049035 -1.115238 -3.789717


%chk=000192491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192491

0 1
O -2.204939 -2.961839 -2.679899
O -0.563545 -1.550534 -1.861258
N 3.511101 0.994916 2.178451
N 4.915268 2.074203 0.837498
N 3.653764 2.296913 2.709625
N 4.505778 2.930638 1.882539
C 4.392398 -0.316990 0.152019
C 3.450551 -0.247922 -1.085295
C 2.612243 0.036285 2.843968
C 4.280567 0.884090 1.041015
C 3.643981 -1.460662 -2.022622
C 1.277120 -0.136152 2.128168
C -1.242239 -0.462533 0.824633
C 0.788457 -1.427396 1.816173
C 0.490228 0.993414 1.793774
C -2.593464 -0.622000 0.203583
C -0.455846 -1.589513 1.174536
C -0.754648 0.829777 1.154336
C 2.714341 -1.399320 -3.254006
C -2.857489 -1.403785 -0.967979
C -3.696870 -0.011403 0.857104
C -4.195835 -1.589186 -1.411903
C -5.019155 -0.178316 0.394824
C -5.273789 -0.984468 -0.737905
C -1.755441 -1.938278 -1.820837
H 5.438910 -0.378590 -0.197634
H 4.180036 -1.240752 0.724154
H 3.658589 0.689652 -1.635610
H 2.395238 -0.202016 -0.754427
H 2.462950 0.438801 3.861308
H 3.130750 -0.934294 2.938447
H 4.703188 -1.506475 -2.349982
H 3.447043 -2.395426 -1.457854
H 1.381022 -2.313389 2.076295
H 0.857766 1.999686 2.027078
H -0.823066 -2.596653 0.949175
H -1.344810 1.712175 0.882190
H 2.908450 -0.485948 -3.847378
H 1.654810 -1.386939 -2.942212
H 2.871927 -2.270424 -3.917246
H -3.508220 0.575909 1.762165
H -4.368940 -2.196312 -2.304024
H -5.846238 0.305297 0.925962
H -6.297640 -1.131578 -1.096636
H -1.445704 -3.237262 -3.261115


