%chk=000200777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200777

1 1
O -0.557209 -0.753714 -0.039597
O 0.401420 -2.298859 -1.358037
O 1.975572 0.132376 -1.829622
N -3.797148 0.817740 -0.185237
C -3.788045 -0.118254 -1.432770
C -3.908827 -0.246338 0.943078
C -4.914571 -1.130603 -1.122361
C -4.994224 -1.211400 0.413015
C -2.434287 -0.819421 -1.533315
C -2.564917 -0.960800 1.100647
C -1.875470 -1.377321 -0.210319
C -2.565856 1.728338 -0.092130
C -5.029347 1.700367 -0.213027
C -2.558594 2.588525 1.157213
C 0.531640 -1.299770 -0.700349
C 1.784868 -0.392470 -0.506261
C 3.001375 -1.185264 -0.066493
C 1.464074 0.793727 0.390133
C 4.012080 -0.538719 0.663252
C 1.203113 0.583563 1.753834
C 3.171640 -2.528387 -0.435347
C 1.455370 2.092121 -0.133658
C 5.164559 -1.233814 1.038110
C 0.939434 1.673170 2.585794
C 4.324566 -3.220430 -0.057186
C 1.190461 3.179322 0.705306
C 5.322030 -2.576739 0.682235
C 0.936210 2.972327 2.063890
H -3.994202 0.478020 -2.352263
H -4.208892 0.243943 1.898520
H -4.696752 -2.121589 -1.568236
H -5.878498 -0.825678 -1.569726
H -5.999878 -0.945131 0.787294
H -4.822263 -2.245271 0.772057
H -2.504357 -1.647320 -2.277740
H -1.672949 -0.142458 -1.988116
H -1.848013 -0.326508 1.682377
H -2.701829 -1.856100 1.747206
H -1.735362 -2.480767 -0.272779
H -2.536564 2.363069 -1.007921
H -1.623573 1.113449 -0.115598
H -5.144987 2.258013 0.735203
H -4.967300 2.446039 -1.026825
H -5.959892 1.125200 -0.365154
H -2.647734 2.013345 2.087196
H -3.328227 3.370419 1.162148
H -1.586718 3.117288 1.233039
H 2.627254 -0.418101 -2.335838
H 3.909846 0.513377 0.938478
H 1.221804 -0.426809 2.163312
H 2.411224 -3.051436 -1.024088
H 1.677607 2.250626 -1.193613
H 5.944288 -0.724994 1.606431
H 0.758711 1.513905 3.648723
H 4.447176 -4.265857 -0.343729
H 1.207549 4.191431 0.300318
H 6.221852 -3.119333 0.976346
H 0.757560 3.822654 2.722180


%chk=000200777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200777

1 1
O -0.176634 -0.481251 -0.134859
O 0.477653 -1.179325 -2.252255
O 2.913327 0.031871 -1.998681
N -4.185377 0.598814 0.083055
C -3.684116 0.361739 -1.390451
C -3.851482 -0.804400 0.694580
C -4.310352 -1.018316 -1.739208
C -4.426334 -1.777572 -0.372806
C -2.144344 0.310859 -1.413431
C -2.323678 -0.946162 0.854974
C -1.583058 -0.810157 -0.495443
C -3.501761 1.799303 0.775696
C -5.691241 0.843252 0.088885
C -3.923989 2.014959 2.234878
C 0.776334 -0.687303 -1.142249
C 2.205459 -0.223535 -0.739266
C 2.925311 -1.329062 0.067935
C 2.141410 1.131371 -0.002812
C 4.341216 -1.367179 -0.002901
C 2.113081 1.197722 1.410211
C 2.247199 -2.269088 0.881764
C 2.081297 2.327314 -0.760351
C 5.064568 -2.333779 0.727069
C 2.022658 2.448664 2.060887
C 2.974146 -3.240563 1.608035
C 1.991616 3.577096 -0.107358
C 4.384041 -3.275771 1.533887
C 1.958092 3.642546 1.305145
H -4.065145 1.191994 -2.009064
H -4.358845 -0.881196 1.669734
H -3.658091 -1.549136 -2.450543
H -5.290464 -0.913112 -2.231568
H -5.470390 -2.050922 -0.149705
H -3.847678 -2.715128 -0.372942
H -1.829797 0.116681 -2.453537
H -1.695479 1.280901 -1.137762
H -1.918337 -0.214966 1.575509
H -2.125435 -1.942077 1.289364
H -1.577673 -1.767688 -1.048169
H -3.748650 2.679584 0.155347
H -2.416789 1.647216 0.720195
H -6.064568 0.787357 1.121096
H -5.887773 1.844803 -0.324427
H -6.202036 0.090105 -0.522316
H -3.724142 1.132560 2.867306
H -4.981012 2.304474 2.348224
H -3.318076 2.843767 2.640655
H 2.786021 -0.750630 -2.598372
H 4.860232 -0.640423 -0.635146
H 2.185781 0.279604 2.002007
H 1.154579 -2.247900 0.960987
H 2.149206 2.270340 -1.850606
H 6.157884 -2.353553 0.665441
H 2.024868 2.492829 3.155743
H 2.440705 -3.968155 2.229672
H 1.969415 4.498915 -0.699292
H 4.946955 -4.028553 2.095925
H 1.906490 4.612958 1.811313


