%chk=000188281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188281

0 1
O -2.380117 -2.560675 -0.787994
O -0.870401 -4.857852 0.956912
O -4.839683 -2.382996 0.528105
O -2.965383 3.823847 -0.326835
O 5.776618 2.887109 -0.387899
N -1.229649 -0.516351 -0.603518
N -0.700438 1.714449 -0.315959
N -3.718937 -0.204509 -0.924046
N 1.131408 -0.010804 -0.313251
N -4.444194 2.103933 -0.665541
N -6.048055 0.350778 -0.845827
N 4.631894 2.141503 -0.770161
C -1.062317 -1.987717 -0.775045
C -0.287124 -2.648389 0.372778
C -1.298440 -3.504323 1.146674
C -2.663746 -3.274983 0.445539
C -3.631158 -2.455987 1.309069
C -2.412976 0.225631 -0.681861
C -0.181758 0.469624 -0.395206
C -2.076556 1.589829 -0.484523
C -3.113026 2.638696 -0.471995
C -4.707308 0.825889 -0.827903
C 2.206090 0.741047 -0.271867
C 3.512486 0.039512 -0.185837
C 4.716625 0.769384 -0.346454
C 2.277040 2.206274 -0.291243
C 3.601621 -1.341834 0.070655
C 3.442372 2.864309 -0.446190
C 5.968416 0.139691 -0.215244
C 4.839738 -1.968777 0.183926
C 6.021776 -1.225651 0.047595
H -0.653986 -2.185504 -1.796828
H 0.223948 -1.914425 1.027393
H 0.524284 -3.296556 -0.027438
H -1.317505 -3.280674 2.232311
H -3.139395 -4.212945 0.076508
H -3.254343 -1.437472 1.516122
H -3.863370 -2.970936 2.259941
H -1.352452 -5.468011 1.550862
H -3.942445 -1.219308 -0.960670
H -5.441790 -1.697669 0.904146
H 1.333801 2.763892 -0.177440
H -6.740102 1.105077 -0.857519
H -6.259134 -0.348433 -1.552212
H 2.681784 -1.922437 0.180819
H 3.541768 3.955370 -0.432883
H 6.881370 0.727902 -0.307422
H 4.892955 -3.038152 0.382161
H 6.988259 -1.720898 0.150392
H 6.225936 3.097924 -1.273297


%chk=000188281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188281

0 1
O -2.347251 -2.533187 -0.638777
O -0.550326 -4.708071 0.644855
O -4.913394 -2.445094 0.476660
O -2.788851 3.970222 -0.801001
O 5.890968 2.979675 -0.334161
N -1.220024 -0.432200 -0.505983
N -0.606440 1.780855 -0.614428
N -3.695892 -0.093991 -0.713941
N 1.132723 -0.010327 -0.414350
N -4.370818 2.227093 -0.896140
N -5.967992 0.495429 -0.934124
N 4.685629 2.193902 -0.444242
C -1.042389 -1.888641 -0.365225
C -0.626078 -2.341079 1.058398
C -1.382442 -3.665651 1.259042
C -2.703586 -3.436327 0.481001
C -3.790237 -2.803953 1.364623
C -2.379219 0.314879 -0.634672
C -0.133631 0.508671 -0.510102
C -1.998077 1.674012 -0.691407
C -3.024608 2.728810 -0.793365
C -4.643610 0.931303 -0.858896
C 2.244223 0.744703 -0.410102
C 3.548448 0.051618 -0.318291
C 4.775653 0.797386 -0.309699
C 2.282147 2.199206 -0.474208
C 3.639224 -1.364161 -0.229494
C 3.483191 2.878149 -0.476892
C 6.032569 0.149542 -0.184620
C 4.879483 -2.014074 -0.121744
C 6.078280 -1.252113 -0.091167
H -0.316950 -2.221742 -1.124197
H -0.930502 -1.587820 1.804631
H 0.460432 -2.486630 1.133841
H -1.568188 -3.894120 2.329166
H -3.097235 -4.359500 0.017792
H -3.401513 -1.899999 1.877555
H -4.120978 -3.540091 2.126102
H -1.036978 -5.571034 0.635912
H -3.967278 -1.084534 -0.604495
H -5.615216 -1.981692 1.000639
H 1.336364 2.745640 -0.526279
H -6.650650 1.237940 -1.078224
H -6.185058 -0.439496 -1.277602
H 2.698943 -1.922536 -0.252437
H 3.563251 3.966579 -0.510704
H 6.945854 0.747766 -0.136065
H 4.923240 -3.106181 -0.056809
H 7.046447 -1.754391 0.009825
H 6.252743 3.042660 -1.264398


