%chk=000188886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188886

0 1
S 1.729451 1.789860 0.230603
O 3.469863 -0.177168 0.425750
N 1.364147 -0.831741 -0.268928
C 1.683357 -2.306474 -0.280829
C -0.043278 -0.448739 -0.546851
C -0.893867 -0.418904 0.737080
C 2.064908 -2.783312 1.122797
C 2.799023 -2.580349 -1.291898
C -2.317361 -0.067207 0.405729
C 2.317499 0.073761 0.145493
C -2.693411 1.277543 0.261674
C -3.275019 -1.077411 0.230639
C -4.014685 1.605240 -0.051545
C -4.595838 -0.743481 -0.081955
C 3.274654 2.682958 0.633770
C -4.968558 0.596589 -0.223938
C 3.600460 3.626904 -0.499345
H 0.749972 -2.838020 -0.608572
H -0.087327 0.535654 -1.069876
H -0.472568 -1.182439 -1.268647
H -0.472720 0.312792 1.460362
H -0.835723 -1.395897 1.257287
H 2.257666 -3.860920 1.135931
H 2.983613 -2.286487 1.476013
H 1.281443 -2.571415 1.857057
H 2.539578 -2.221763 -2.293703
H 3.017835 -3.650438 -1.360933
H 3.733856 -2.073221 -1.000868
H -1.954254 2.066238 0.395963
H -2.993190 -2.122153 0.340250
H -4.302377 2.649785 -0.160946
H -5.336365 -1.530537 -0.214593
H 3.108206 3.216029 1.588589
H 4.092831 1.946259 0.805968
H -5.997037 0.854356 -0.466688
H 3.781207 3.091799 -1.442779
H 2.797173 4.351402 -0.688270
H 4.510435 4.203506 -0.280089


%chk=000188886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188886

0 1
S 1.570476 1.983013 0.308596
O 3.488968 -0.007975 0.414331
N 1.344707 -0.737391 -0.188110
C 1.753669 -2.187383 -0.243229
C -0.071778 -0.415020 -0.467440
C -0.988197 -0.531426 0.787219
C 2.266429 -2.703547 1.121049
C 2.761798 -2.442892 -1.386842
C -2.423763 -0.155578 0.455159
C 2.270993 0.215471 0.171959
C -2.810827 1.209255 0.395025
C -3.390646 -1.147877 0.151249
C -4.129463 1.572323 0.042285
C -4.711470 -0.789020 -0.202849
C 3.208102 2.859881 0.680406
C -5.085051 0.573477 -0.259344
C 3.937043 3.312122 -0.591302
H 0.815536 -2.725730 -0.481289
H -0.143036 0.607074 -0.879942
H -0.435249 -1.102257 -1.254185
H -0.581006 0.137722 1.567572
H -0.939322 -1.567076 1.173871
H 2.445508 -3.792661 1.060567
H 3.210164 -2.205460 1.394400
H 1.525172 -2.517290 1.918934
H 2.360771 -2.087947 -2.353236
H 2.965684 -3.526031 -1.472000
H 3.711401 -1.921183 -1.185484
H -2.074652 1.987393 0.634195
H -3.109382 -2.207709 0.200864
H -4.413149 2.630320 0.005973
H -5.447807 -1.568633 -0.429406
H 2.928915 3.703064 1.334172
H 3.808916 2.129918 1.248174
H -6.109071 0.853659 -0.530762
H 4.210213 2.440192 -1.209673
H 3.313773 3.991611 -1.198668
H 4.869233 3.846189 -0.322537


