%chk=000194792.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194792

0 1
O -0.423188 1.570914 0.618193
O 3.215292 3.061501 -1.157726
O -1.155745 3.547453 -0.259371
O -3.460652 -3.545221 0.266197
O -1.245442 -3.480071 0.530481
N 2.113671 2.280372 0.683160
C 3.956536 0.939122 -0.272442
C 3.169073 -0.330245 -0.117633
C 3.074926 2.170799 -0.340218
C 1.121609 3.360254 0.625712
C 3.156729 -1.011408 1.107998
C 2.425348 -0.823772 -1.200602
C -1.591505 0.832920 0.397033
C 2.391530 -2.172778 1.251022
C 1.663504 -1.984605 -1.049790
C -0.275870 2.903251 0.240238
C -1.375971 -0.551602 0.457330
C -2.488003 -1.390790 0.317821
C 1.639135 -2.656660 0.177044
C -2.857481 1.391331 0.191557
C -3.771033 -0.858401 0.113610
C -3.946396 0.526515 0.048626
C -2.273356 -2.855788 0.388071
H 4.699589 1.065444 0.545316
H 4.572411 0.901358 -1.202808
H 1.451625 4.145483 -0.115940
H 1.061203 3.868382 1.621360
H 1.850898 1.468693 1.245496
H 3.742798 -0.643974 1.947637
H 2.439024 -0.301243 -2.156272
H 2.380041 -2.701458 2.203484
H 1.083820 -2.367467 -1.889271
H -0.369037 -0.955752 0.607252
H 1.018226 -3.548886 0.298084
H -2.992893 2.475625 0.131734
H -4.624977 -1.532779 0.005495
H -4.942852 0.940513 -0.115257
H -3.328989 -4.531728 0.313079


%chk=000194792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194792

0 1
O -0.562789 1.510141 0.442407
O 3.369639 3.301633 -1.028948
O -1.270099 3.745873 0.678537
O -3.893022 -3.449650 -0.482131
O -1.574827 -3.355345 -0.498108
N 2.016304 2.086819 0.421100
C 3.897398 0.922110 -0.721131
C 3.364359 -0.365622 -0.114380
C 3.074112 2.205201 -0.463737
C 1.126866 3.208867 0.691430
C 3.896025 -0.875718 1.099056
C 2.303977 -1.075757 -0.740113
C -1.824272 0.856685 0.293652
C 3.381448 -2.061010 1.673700
C 1.782046 -2.258456 -0.167984
C -0.364717 2.894466 0.592627
C -1.696889 -0.524393 0.056597
C -2.859590 -1.310866 -0.111237
C 2.321650 -2.752960 1.043398
C -3.092921 1.480230 0.371778
C -4.143651 -0.710563 -0.035180
C -4.244779 0.674517 0.204288
C -2.676135 -2.763735 -0.374827
H 4.918864 1.138085 -0.356731
H 3.976679 0.843176 -1.820974
H 1.370987 4.011226 -0.030509
H 1.292728 3.638359 1.701118
H 1.778164 1.164022 0.790330
H 4.719776 -0.344272 1.591772
H 1.888542 -0.698928 -1.683401
H 3.808038 -2.443192 2.607989
H 0.957044 -2.792359 -0.653258
H -0.705624 -0.983223 0.003935
H 1.918300 -3.669558 1.487345
H -3.176202 2.552626 0.552065
H -5.035106 -1.329117 -0.165146
H -5.231069 1.146153 0.262615
H -3.707658 -4.410166 -0.662245


