%chk=000230579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230579

0 1
O 4.895062 -0.143190 0.106621
O -4.889006 0.341225 0.161910
N 4.595742 2.834120 0.476853
N -3.406832 -3.225797 0.390904
C 0.741341 0.054257 0.088283
C -0.732927 0.154751 0.098028
C 2.911883 0.962461 0.717295
C -2.899807 -0.832974 0.604649
C 2.761503 -1.142896 -0.563130
C -2.758775 1.422794 -0.383604
C 1.519374 1.046326 0.709368
C -1.506038 -0.912247 0.585029
C 1.365987 -1.032258 -0.539529
C -1.363015 1.312414 -0.379698
C 3.517723 -0.139861 0.075136
C -3.512140 0.342597 0.118150
C 3.758268 2.014653 1.395065
C -3.730943 -1.968707 1.141024
C 3.422735 -2.293930 -1.268074
C -3.424101 2.653935 -0.932044
C 4.121849 -3.215950 -0.308947
C -4.129401 3.439698 0.137433
C 3.782453 3.646929 -0.469991
C -4.379336 -4.309046 0.707494
C 5.347749 -3.694073 -0.510251
C -5.349023 3.952148 -0.010581
H 1.026196 1.885191 1.201666
H -1.020677 -1.819618 0.954902
H 0.754926 -1.797640 -1.019918
H -0.756380 2.133842 -0.761485
H 4.459405 1.515450 2.108881
H 3.126549 2.696842 2.005263
H -4.814365 -1.703903 1.110895
H -3.479372 -2.140831 2.213930
H 2.669073 -2.887177 -1.836296
H 4.112959 -1.908391 -2.050070
H -2.672796 3.319386 -1.416844
H -4.111395 2.371239 -1.759444
H 5.211120 2.205095 -0.058950
H -3.438996 -3.031775 -0.617535
H 3.537030 -3.474914 0.577448
H -3.555393 3.567423 1.058628
H 5.274123 -1.006949 -0.201359
H -5.270416 1.229445 -0.061688
H 3.107476 3.065352 -1.115808
H 4.467011 4.225608 -1.110772
H 3.174866 4.371304 0.095661
H -4.315822 -4.559219 1.779338
H -4.088860 -5.213281 0.147736
H -5.428839 -4.077609 0.472083
H 5.955234 -3.469720 -1.374536
H 5.836884 -4.369508 0.178323
H -5.946196 3.855121 -0.905224
H -5.842769 4.529760 0.758882


%chk=000230579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230579

0 1
O 4.918025 -0.275155 0.143509
O -5.044104 0.586921 0.109299
N 4.705621 2.751899 0.061986
N -3.295201 -3.255473 0.160236
C 0.675996 0.074950 0.110489
C -0.806301 0.222785 0.099638
C 2.927223 1.006142 0.591225
C -3.065580 -0.777510 0.284205
C 2.703468 -1.278718 -0.345202
C -2.817842 1.655665 -0.107080
C 1.522272 1.122980 0.568663
C -1.660744 -0.897881 0.283605
C 1.299705 -1.118027 -0.339432
C -1.415636 1.489710 -0.097560
C 3.506755 -0.206281 0.132178
C -3.636561 0.509611 0.101722
C 3.829062 2.139451 1.087779
C -3.969155 -1.984223 0.503652
C 3.344478 -2.551390 -0.897285
C -3.440645 3.021789 -0.393254
C 4.311384 -3.224970 0.067315
C -4.446009 3.481210 0.654642
C 4.007087 3.414702 -1.054246
C -4.070912 -4.460312 0.506907
C 5.587823 -3.587235 -0.233165
C -5.699698 3.935873 0.386959
H 1.074603 2.046769 0.956213
H -1.249597 -1.895360 0.470689
H 0.679569 -1.934001 -0.729514
H -0.785691 2.367618 -0.286579
H 4.488263 1.757225 1.889233
H 3.198544 2.937053 1.526591
H -4.923986 -1.826679 -0.049891
H -4.252913 -2.037062 1.575744
H 2.536500 -3.268629 -1.140063
H 3.875048 -2.337386 -1.847477
H -2.623746 3.767844 -0.444495
H -3.931918 3.023905 -1.387818
H 5.405309 2.070091 -0.259312
H -2.993944 -3.259465 -0.823759
H 3.913596 -3.426910 1.073436
H -4.096286 3.440147 1.697457
H 5.222602 -1.223327 0.095496
H -5.342645 1.532480 0.207662
H 3.330424 2.752982 -1.646825
H 4.752603 3.850056 -1.743834
H 3.393930 4.247760 -0.659708
H -4.186964 -4.520372 1.605272
H -3.522492 -5.361667 0.180039
H -5.095219 -4.496307 0.060351
H 6.015992 -3.411704 -1.228954
H 6.229126 -4.088308 0.499953
H -6.081107 4.000266 -0.640702
H -6.369215 4.274371 1.185107


