%chk=000218887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218887

0 1
S 7.440323 0.504534 -1.555177
O -2.765599 -0.765197 -0.275861
N 5.794985 0.222327 0.549259
N -4.331044 0.905244 0.287309
C 4.616478 -0.586617 0.093003
C 3.332280 0.222115 0.343446
C 2.088624 -0.598386 -0.018483
C 6.997304 -0.622847 0.829900
C 6.188298 1.263216 -0.412853
C 0.803384 0.202419 0.230744
C 7.795766 -0.901022 -0.449682
C -0.439048 -0.619140 -0.129129
C -1.710217 0.185082 0.122444
C -4.057190 -0.346849 -0.171293
C -5.043227 -1.286393 -0.563643
C -6.693353 0.400690 0.002343
C -6.368618 -0.890196 -0.468732
C -5.644842 1.260090 0.367182
C -8.116759 0.831984 0.106337
H 4.582150 -1.527262 0.684606
H 4.686364 -0.887148 -0.974910
H 3.294252 0.534556 1.406774
H 3.351633 1.162798 -0.239765
H 2.067260 -1.534977 0.572337
H 2.136601 -0.911525 -1.079896
H 7.622049 -0.060270 1.562471
H 6.697656 -1.563465 1.335334
H 6.670515 2.103259 0.128667
H 5.344151 1.661241 -1.005192
H 0.822749 1.138827 -0.361098
H 0.756083 0.515885 1.292520
H 7.490569 -1.839168 -0.942953
H 8.880852 -0.959797 -0.262176
H -0.404369 -0.939423 -1.190354
H -0.471165 -1.560051 0.457014
H -1.799307 1.084084 -0.509511
H -1.866239 0.449461 1.181350
H -4.747530 -2.268270 -0.920099
H -7.165421 -1.576002 -0.758331
H -5.834786 2.273268 0.739512
H -8.221811 1.856429 0.487352
H -8.616148 0.801540 -0.873037
H -8.684054 0.178054 0.784573


%chk=000218887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218887

0 1
S 7.399995 0.614501 -1.684022
O -2.839610 -0.943122 -0.298776
N 5.873204 0.266050 0.611703
N -4.342454 0.820466 0.212786
C 4.694451 -0.526910 0.153260
C 3.361962 0.210486 0.392271
C 2.137543 -0.645813 -0.002120
C 7.103481 -0.531966 0.829205
C 6.237207 1.368505 -0.241893
C 0.797832 0.093735 0.211858
C 7.754891 -0.870238 -0.557358
C -0.430818 -0.772252 -0.149839
C -1.739603 -0.008253 0.056435
C -4.136449 -0.454474 -0.195107
C -5.189667 -1.347281 -0.533190
C -6.764188 0.465257 -0.012229
C -6.506883 -0.871539 -0.436871
C -5.636274 1.256773 0.297294
C -8.173462 1.011757 0.101953
H 4.689612 -1.469534 0.732467
H 4.788618 -0.796264 -0.925138
H 3.302182 0.492151 1.461465
H 3.342743 1.156163 -0.186204
H 2.135698 -1.583441 0.592001
H 2.221961 -0.950262 -1.066028
H 7.813563 0.076467 1.419119
H 6.868400 -1.445455 1.401703
H 6.869400 2.100417 0.281238
H 5.375043 1.849449 -0.722093
H 0.792004 1.020903 -0.398340
H 0.725157 0.417390 1.270922
H 7.306390 -1.769397 -1.010815
H 8.844824 -1.002165 -0.468478
H -0.364845 -1.101558 -1.204910
H -0.444113 -1.688004 0.472552
H -1.807110 0.888116 -0.588404
H -1.871643 0.319577 1.104860
H -4.955300 -2.365017 -0.854896
H -7.343578 -1.533441 -0.690201
H -5.763788 2.294198 0.630787
H -8.168625 2.060268 0.447416
H -8.699477 0.981466 -0.870865
H -8.778672 0.425391 0.818785


