%chk=000213887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213887

0 1
O -5.291827 0.187552 -1.160347
O -0.671389 1.329419 2.134874
N -2.741923 -0.251748 0.047843
N 0.303580 0.451644 0.266880
C -3.490907 1.030783 0.271459
C -3.714067 -1.381668 -0.136357
C -1.830982 -0.540159 1.198352
C -4.386068 1.291347 -0.948253
C -4.599791 -1.061216 -1.351985
C -0.704211 0.495404 1.243985
C 0.295663 -0.561057 -0.823338
C 1.424451 1.367416 0.318567
C 0.749139 -1.923423 -0.348444
C 2.075600 1.617112 1.541223
C 1.860566 2.006175 -0.854513
C 3.621548 3.111857 0.405252
C 3.164980 2.484512 1.577235
C 2.958093 2.867294 -0.806069
C 0.014965 -3.059970 -0.719383
C 1.907052 -2.067576 0.428921
C 0.437351 -4.329029 -0.313926
C 2.322332 -3.338119 0.835970
C 4.791584 4.039082 0.462956
C 1.589546 -4.470541 0.465737
H -2.752999 1.856252 0.387388
H -4.104399 1.018183 1.198386
H -4.352799 -1.553701 0.757084
H -3.142863 -2.315933 -0.319026
H -1.406837 -1.564691 1.088957
H -2.339897 -0.516146 2.191320
H -5.078043 2.136304 -0.784407
H -3.794703 1.451423 -1.866686
H -4.011478 -1.007465 -2.284821
H -5.430981 -1.779784 -1.461939
H -0.731662 -0.604855 -1.266504
H 0.965928 -0.230993 -1.652858
H 1.707639 1.157739 2.460805
H 1.342878 1.844653 -1.798222
H 3.662410 2.680800 2.526165
H 3.292706 3.357323 -1.718864
H -0.881411 -2.957249 -1.328400
H 2.482643 -1.187036 0.717698
H -0.132101 -5.209477 -0.606970
H 3.221107 -3.445603 1.441813
H 4.534676 4.960693 1.006336
H 5.144789 4.339899 -0.531551
H 5.645049 3.582255 0.982953
H 1.916360 -5.459083 0.782203


%chk=000213887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213887

0 1
O -5.290191 0.176551 -1.210261
O -0.644481 1.355351 2.301332
N -2.741539 -0.258417 0.115340
N 0.301855 0.458550 0.351152
C -3.449692 1.048928 0.214840
C -3.725037 -1.364190 -0.050666
C -1.836058 -0.501464 1.269336
C -4.313617 1.266868 -1.036307
C -4.584035 -1.110745 -1.300392
C -0.679035 0.513332 1.352157
C 0.229410 -0.561122 -0.732632
C 1.417779 1.385244 0.364360
C 0.690560 -1.959770 -0.316654
C 2.138297 1.637504 1.559686
C 1.810908 2.044722 -0.824822
C 3.647069 3.183043 0.363968
C 3.232274 2.524183 1.551456
C 2.915933 2.924513 -0.821407
C 0.103641 -3.094223 -0.932537
C 1.716011 -2.155531 0.642198
C 0.535609 -4.399363 -0.604815
C 2.146126 -3.459795 0.974910
C 4.821389 4.145988 0.376080
C 1.559365 -4.586348 0.352552
H -2.705725 1.861414 0.301534
H -4.096352 1.083726 1.125473
H -4.392790 -1.451489 0.841798
H -3.176539 -2.319298 -0.162470
H -1.434229 -1.528188 1.182438
H -2.367149 -0.418358 2.244692
H -4.913384 2.187351 -0.947944
H -3.661918 1.330864 -1.934736
H -3.936473 -1.120691 -2.204774
H -5.372956 -1.874264 -1.402308
H -0.811336 -0.598940 -1.102584
H 0.869905 -0.209650 -1.559782
H 1.827245 1.156845 2.490117
H 1.245307 1.894397 -1.751317
H 3.776812 2.707571 2.485966
H 3.204202 3.425272 -1.753376
H -0.693416 -2.953926 -1.674766
H 2.176797 -1.287789 1.126469
H 0.072145 -5.266216 -1.089544
H 2.940050 -3.597332 1.717831
H 4.577335 5.066215 0.940879
H 5.108630 4.448435 -0.645703
H 5.708568 3.695733 0.858683
H 1.894028 -5.596892 0.612045


