%chk=000193880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193880

0 1
O -1.372961 -1.306931 1.476859
O -0.545600 2.304522 -1.824517
O 1.078898 -1.084549 -1.522603
O 3.496424 -1.889294 -1.931025
N -5.319881 -1.157291 0.568404
C -4.978334 0.851479 -0.907758
C -3.507798 0.701016 -0.649914
C -5.751424 -0.469835 -0.665341
C -3.058192 -0.240809 0.305755
C -0.714176 0.453957 -0.138695
C -1.666256 -0.367906 0.517903
C -4.098888 -1.047411 0.995449
C -2.602793 1.498299 -1.337252
C 0.710682 0.414628 0.214846
C -1.219854 1.374340 -1.079301
C -7.257156 -0.201439 -0.562986
C 1.187202 1.189604 1.318235
C 1.623044 -0.365278 -0.500891
C 3.018083 -0.404153 -0.178756
C -3.745225 -1.764373 2.262333
C 3.463586 0.382285 0.926009
C 2.529686 1.164574 1.653228
C 0.224102 2.015595 2.100807
C 4.016757 -1.170057 -0.872826
C 4.851435 0.371789 1.289990
C 5.346146 -1.175739 -0.516753
C 5.756111 -0.382878 0.590802
C -0.107860 -2.012116 1.468602
C 0.889327 2.257943 -1.992323
C 4.380044 -2.730571 -2.712580
H -5.371282 1.647628 -0.237474
H -5.173371 1.211111 -1.935926
H -5.559814 -1.164215 -1.528818
H -2.929120 2.223515 -2.079156
H -7.495241 0.449783 0.286353
H -7.647491 0.259709 -1.473341
H -7.800819 -1.140842 -0.391820
H -3.196229 -1.107841 2.951367
H -3.092422 -2.624787 2.046663
H -4.636086 -2.144055 2.783471
H 2.892417 1.753779 2.493441
H -0.310120 2.728462 1.451495
H -0.553442 1.382128 2.560739
H 0.697807 2.591597 2.904412
H 5.165718 0.979075 2.136521
H 6.089764 -1.758065 -1.047017
H 6.811270 -0.391267 0.868360
H 0.653172 -1.404258 1.966100
H 0.181054 -2.286687 0.449112
H -0.350246 -2.902560 2.062579
H 1.739507 -1.641526 -2.031158
H 1.192746 1.284011 -2.388918
H 1.391243 2.497653 -1.050999
H 1.045099 3.051641 -2.734901
H 4.815877 -3.507318 -2.076392
H 5.147394 -2.117722 -3.196033
H 3.691790 -3.161050 -3.451558


%chk=000193880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193880

0 1
O -1.009271 -1.151371 1.469008
O -0.543825 2.579775 -1.733985
O 1.155260 -0.985418 -1.544901
O 3.508190 -1.938251 -1.873865
N -5.228347 -1.156711 0.754293
C -5.019092 0.854878 -0.712606
C -3.513287 0.799776 -0.524860
C -5.615361 -0.563622 -0.565353
C -2.993422 -0.160920 0.402640
C -0.677035 0.636699 -0.130326
C -1.580693 -0.231668 0.552265
C -3.992842 -0.968850 1.177051
C -2.646102 1.656276 -1.213507
C 0.781928 0.582507 0.227626
C -1.242597 1.592488 -1.021689
C -7.147740 -0.580559 -0.680293
C 1.267167 1.370362 1.331628
C 1.673392 -0.251188 -0.470405
C 3.071511 -0.331470 -0.119244
C -3.657153 -1.541055 2.544457
C 3.546754 0.476660 0.983107
C 2.621852 1.313034 1.680594
C 0.307651 2.245056 2.113913
C 4.031727 -1.165394 -0.800523
C 4.932999 0.419960 1.354059
C 5.376510 -1.208186 -0.426431
C 5.822886 -0.401386 0.666315
C -0.733313 -2.483335 0.890727
C 0.821907 2.338686 -2.233686
C 4.407863 -2.829973 -2.610867
H -5.473728 1.503908 0.066967
H -5.275969 1.292361 -1.694034
H -5.184995 -1.206751 -1.367004
H -3.030017 2.397211 -1.921661
H -7.597684 0.064899 0.096091
H -7.480162 -0.224681 -1.673203
H -7.526586 -1.605418 -0.525215
H -3.129364 -0.800637 3.170289
H -2.991655 -2.418639 2.474905
H -4.599420 -1.846933 3.027024
H 2.991839 1.916173 2.517515
H -0.236777 2.943646 1.452694
H -0.455775 1.626658 2.621646
H 0.840192 2.834051 2.879717
H 5.278430 1.035595 2.191635
H 6.092277 -1.845543 -0.951839
H 6.878391 -0.439704 0.955580
H -0.215406 -3.047794 1.681616
H -0.092303 -2.389265 -0.004022
H -1.678018 -2.994818 0.617377
H 1.903331 -1.533068 -1.942324
H 0.925533 1.306233 -2.610609
H 1.575065 2.533343 -1.451127
H 0.946279 3.060151 -3.057221
H 4.841741 -3.589850 -1.935269
H 5.213076 -2.253330 -3.102082
H 3.778495 -3.317295 -3.369788


