%chk=000280730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280730

0 1
O 1.267728 -1.399262 0.316073
O 0.936846 -1.424157 2.555929
O -1.872776 1.461617 -2.754698
O -5.871943 -0.733537 0.771689
O -5.198721 -0.221802 -1.219521
N 4.096062 -0.639258 -1.513835
N -0.040313 2.837445 2.306790
N -5.004205 -0.595153 -0.070544
C 3.374836 -2.590185 0.062472
C 2.715945 -1.252040 0.481829
C 4.902538 -2.376745 0.139163
C 2.978907 -2.902118 -1.397047
C 5.290794 -1.198459 -0.787363
C 3.440397 -1.738678 -2.307390
C 3.128693 -0.171817 -0.508568
C 2.697988 1.093935 -0.532553
C 1.751638 1.672990 0.435173
C 0.475122 -1.379129 1.440339
C 0.384239 1.928817 0.048143
C 2.160187 1.997829 1.707267
C -0.955484 -1.274413 1.032482
C -0.474031 2.516340 1.022951
C -0.139208 1.607035 -1.230665
C 1.222922 2.583623 2.622087
C -1.925338 -1.116691 2.034618
C -1.313195 -1.272354 -0.323381
C -1.842553 2.792909 0.696735
C -1.473871 1.866281 -1.499926
C -2.339752 2.472782 -0.540197
C -3.261262 -0.922394 1.678935
C -2.645389 -1.071477 -0.687939
C -3.600991 -0.881351 0.319068
C -3.253385 1.680622 -3.139196
H 3.049454 -3.407885 0.738130
H 2.938502 -0.977342 1.536654
H 5.426497 -3.299959 -0.164810
H 5.218345 -2.179763 1.178192
H 1.882214 -3.029920 -1.462039
H 3.425526 -3.856508 -1.720932
H 5.760801 -0.375228 -0.211601
H 6.032217 -1.516202 -1.548092
H 4.163424 -2.087703 -3.071280
H 2.581981 -1.298626 -2.855658
H 3.048605 1.791352 -1.304483
H 3.181364 1.823337 2.038694
H 0.499359 1.157165 -1.989007
H 1.547926 2.838919 3.638740
H -1.626344 -1.130234 3.088731
H -0.541315 -1.396292 -1.092314
H -2.468256 3.261869 1.460797
H -3.376573 2.682298 -0.793051
H -4.033691 -0.791700 2.444301
H -2.935261 -1.035477 -1.744048
H -3.930629 1.118779 -2.482203
H -3.267564 1.270572 -4.157433
H -3.482608 2.749340 -3.147409


%chk=000280730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280730

0 1
O 1.183916 -1.547137 0.534896
O 1.243072 -1.831141 2.854801
O -1.183191 2.994689 -3.840432
O -5.785069 -2.481530 2.599385
O -5.743830 -1.898837 0.394811
N 3.990980 -0.706725 -1.517773
N -0.629081 2.924539 1.764788
N -5.161812 -2.146881 1.519969
C 3.405085 -2.630765 0.133668
C 2.668310 -1.322219 0.514786
C 4.928297 -2.326575 0.203543
C 3.026182 -3.047599 -1.311462
C 5.230297 -1.139629 -0.785476
C 3.442337 -1.883518 -2.283049
C 2.980036 -0.266205 -0.549873
C 2.376394 0.942239 -0.721052
C 1.337336 1.574291 0.120463
C 0.594838 -1.748729 1.781415
C 0.226517 2.277706 -0.496216
C 1.402286 1.575480 1.523142
C -0.893994 -1.849586 1.676343
C -0.725658 2.940649 0.377990
C 0.017069 2.325020 -1.905141
C 0.410151 2.252316 2.296748
C -1.621285 -2.206187 2.841423
C -1.575908 -1.584427 0.460261
C -1.827702 3.641789 -0.202221
C -1.077340 3.018671 -2.442430
C -2.010225 3.689793 -1.584819
C -3.023126 -2.307627 2.798109
C -2.978694 -1.678059 0.404438
C -3.678795 -2.042346 1.575415
C -2.311721 3.696897 -4.459804
H 3.137691 -3.422363 0.854940
H 2.962977 -1.023539 1.538989
H 5.490499 -3.235838 -0.078073
H 5.223407 -2.067870 1.237942
H 1.941240 -3.244424 -1.370909
H 3.549438 -3.986688 -1.569552
H 5.627814 -0.261404 -0.248908
H 5.976215 -1.431155 -1.546081
H 4.227717 -2.205489 -2.990188
H 2.581984 -1.529336 -2.875086
H 2.704431 1.500159 -1.608891
H 2.232570 1.088612 2.043375
H 0.693278 1.812485 -2.595281
H 0.476532 2.248183 3.390995
H -1.070353 -2.394832 3.767832
H -1.000763 -1.296730 -0.423196
H -2.524561 4.134166 0.482741
H -2.863861 4.232526 -2.001308
H -3.611527 -2.581005 3.677385
H -3.534329 -1.473582 -0.513925
H -3.280597 3.275645 -4.129112
H -2.187730 3.534460 -5.540350
H -2.281344 4.781655 -4.241186


