%chk=000257213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257213

0 1
O 3.298748 -0.350059 -1.224841
O 2.861995 -0.945814 0.986383
O -0.058744 -0.938779 1.206276
O 1.481753 1.793563 0.929803
O 3.692623 1.952262 0.466939
N 1.145562 -0.374963 -0.671043
C -1.302768 -0.463943 -0.842129
C 2.472310 -0.142879 -0.084196
C -2.312457 -1.569255 -0.607284
C -1.927076 0.892121 -0.571611
C -0.048695 -0.626685 0.035503
C -2.660047 -1.986453 0.684867
C -2.387280 1.659199 -1.652467
C -2.927153 -2.167583 -1.718969
C -2.056267 1.383674 0.735639
C 2.665531 1.320094 0.465853
C 4.748512 -0.330633 -1.001429
C 2.611369 -2.390737 0.894520
C -3.610316 -2.995283 0.862649
C -2.967664 2.910059 -1.424018
C -3.878186 -3.174557 -1.534912
C -2.636341 2.634911 0.956971
C -4.221869 -3.590748 -0.244769
C -3.091898 3.401170 -0.120849
C 5.307758 -1.072799 -2.197083
C 3.705235 -3.002295 1.744783
C 1.427883 3.172323 1.436368
C 0.838016 4.037516 0.344370
H -0.999291 -0.504025 -1.924683
H 1.125959 -0.254020 -1.690788
H -2.174842 -1.531554 1.554009
H -2.302911 1.283621 -2.670003
H -2.672135 -1.849006 -2.727276
H -1.696215 0.790111 1.580887
H 4.968127 -0.821984 -0.037178
H 5.043009 0.735584 -0.964322
H 2.650060 -2.703739 -0.160793
H 1.597352 -2.533315 1.318817
H -3.873868 -3.316573 1.869386
H -3.326362 3.501453 -2.264951
H -4.353080 -3.635028 -2.399503
H -2.736118 3.011492 1.974012
H -4.962818 -4.374834 -0.103552
H -3.546131 4.374156 0.054596
H 6.403862 -1.057726 -2.193656
H 4.978982 -2.119727 -2.211958
H 4.966749 -0.620591 -3.138859
H 3.488244 -4.051430 1.976485
H 4.684816 -2.953960 1.255077
H 3.800029 -2.462467 2.700121
H 2.438177 3.490506 1.750017
H 0.761722 3.053957 2.310541
H -0.107144 3.613858 -0.031040
H 1.515341 4.124605 -0.515310
H 0.627852 5.050905 0.705899


%chk=000257213-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257213

0 1
O 3.143501 -0.080751 -1.210988
O 2.714380 -1.317233 0.817839
O -0.195784 -0.289013 1.407254
O 1.625955 2.052092 0.463211
O 3.301746 1.166216 1.825138
N 0.980836 -0.349383 -0.593889
C -1.481123 -0.386601 -0.710743
C 2.308579 -0.214927 -0.002231
C -2.320951 -1.619283 -0.334092
C -2.275764 0.930042 -0.616031
C -0.192163 -0.335011 0.142879
C -2.927825 -1.740812 0.941616
C -2.963024 1.387649 -1.769365
C -2.491069 -2.662976 -1.277674
C -2.377954 1.680451 0.583207
C 2.469664 1.046808 0.905361
C 4.595283 0.107493 -0.945115
C 2.453015 -2.666725 0.248263
C -3.689759 -2.885336 1.261535
C -3.740175 2.566149 -1.730555
C -3.256950 -3.807944 -0.959320
C -3.154272 2.860735 0.621300
C -3.859896 -3.921977 0.313606
C -3.839732 3.308453 -0.531251
C 5.329573 -0.232937 -2.240344
C 3.221474 -3.655972 1.121289
C 1.682658 3.347099 1.211963
C 2.784683 4.249208 0.650281
H -1.187250 -0.513877 -1.770511
H 0.966324 -0.280719 -1.613429
H -2.791448 -0.947726 1.682442
H -2.896828 0.812687 -2.701861
H -2.026466 -2.579505 -2.268855
H -1.838081 1.344800 1.474788
H 4.893730 -0.549177 -0.107424
H 4.771804 1.159938 -0.647044
H 2.792895 -2.692353 -0.805906
H 1.364866 -2.862878 0.281538
H -4.151781 -2.969155 2.251726
H -4.265335 2.903358 -2.631441
H -3.383165 -4.604540 -1.701384
H -3.226156 3.429987 1.555357
H -4.455359 -4.807125 0.564294
H -4.442650 4.222914 -0.496614
H 6.415809 -0.076463 -2.108434
H 5.160664 -1.286273 -2.523984
H 4.984353 0.410129 -3.068531
H 3.040551 -4.689451 0.773033
H 4.306386 -3.456746 1.084110
H 2.891623 -3.576635 2.170888
H 1.845911 3.122699 2.280629
H 0.677470 3.770763 1.059055
H 2.651230 4.403488 -0.434354
H 3.781281 3.813419 0.833377
H 2.744617 5.236624 1.146693


