%chk=000213978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213978

0 1
Cl -0.584275 4.024384 -0.742969
S 4.225169 0.586075 1.200772
N -2.447101 -0.778492 -0.286078
N -5.059473 -0.377636 1.082163
N 1.796048 -0.508637 -0.379325
C -3.722656 -1.302046 -0.869638
C -2.744315 0.477648 0.471967
C -4.187371 -0.299214 -1.949810
C -3.163180 1.551902 -0.555892
C -4.801860 -1.571653 0.214269
C -3.801569 0.260343 1.588481
C -4.369495 1.120790 -1.398559
C -1.716090 -1.808090 0.521367
C -0.258541 -1.371638 0.743522
C -5.927653 -0.768714 2.235210
C 0.467971 -1.158969 -0.593278
C 1.812397 0.881495 -0.106126
C 2.966056 -1.321092 -0.349333
C 2.910162 1.512914 0.520612
C 4.155244 -0.894447 0.274095
C 0.715053 1.687036 -0.493839
C 2.968857 -2.577406 -0.997126
C 2.953322 2.893806 0.702968
C 5.314857 -1.667969 0.233227
C 0.773615 3.058545 -0.272447
C 4.124315 -3.356825 -1.017766
C 1.872863 3.690385 0.309353
C 5.301384 -2.908783 -0.409607
H -3.500996 -2.277941 -1.375335
H -1.796555 0.819388 0.967732
H -5.132659 -0.652514 -2.399261
H -3.433871 -0.285428 -2.762216
H -2.300934 1.760899 -1.221419
H -3.384649 2.499439 -0.031700
H -5.766591 -1.809510 -0.286047
H -4.512176 -2.472794 0.794962
H -3.334206 -0.308607 2.420219
H -4.096660 1.249569 2.003563
H -4.523334 1.832056 -2.229919
H -5.289161 1.161744 -0.776842
H -2.190609 -2.011304 1.505967
H -1.734766 -2.767522 -0.041064
H -0.229408 -0.437169 1.342340
H 0.269468 -2.130621 1.352171
H -6.170965 0.133269 2.819644
H -5.494361 -1.515354 2.916073
H -6.880085 -1.163810 1.847139
H -0.152682 -0.518966 -1.272523
H 0.597428 -2.126522 -1.128392
H -0.165765 1.240563 -0.968077
H 2.065894 -2.939916 -1.490606
H 3.826169 3.363052 1.164233
H 6.232294 -1.311139 0.706197
H 4.108446 -4.324391 -1.520174
H 1.890419 4.767798 0.455083
H 6.200480 -3.519276 -0.437257


%chk=000213978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213978

0 1
Cl -0.280381 4.147648 -0.615549
S 4.549055 0.316205 1.260829
N -2.473368 -0.618781 0.133362
N -5.337693 -0.515222 0.848036
N 1.895163 -0.599915 0.035318
C -3.504883 -1.366788 -0.651705
C -3.100360 0.636586 0.662157
C -3.841896 -0.542184 -1.920838
C -3.417282 1.566597 -0.537969
C -4.738735 -1.720512 0.227576
C -4.334352 0.316663 1.557134
C -4.323292 0.894310 -1.598673
C -1.727911 -1.421989 1.139139
C -0.269781 -0.931362 1.295304
C -6.494632 -0.838679 1.699385
C 0.538856 -1.203035 0.007613
C 2.016877 0.814673 0.137622
C 3.019859 -1.375877 -0.391601
C 3.222753 1.405384 0.613739
C 4.331801 -1.051101 0.053355
C 0.951849 1.675832 -0.250444
C 2.875172 -2.473772 -1.283841
C 3.373058 2.803369 0.675528
C 5.452525 -1.795223 -0.362748
C 1.116902 3.066564 -0.136195
C 3.992941 -3.245188 -1.670313
C 2.307882 3.661857 0.313962
C 5.286757 -2.913408 -1.212512
H -3.051270 -2.324363 -0.976803
H -2.355304 1.147711 1.302918
H -4.606796 -1.076760 -2.517657
H -2.918446 -0.495610 -2.531451
H -2.451846 1.854322 -0.997062
H -3.888456 2.498110 -0.168577
H -5.510804 -2.216467 -0.392862
H -4.418878 -2.464323 1.007877
H -3.983194 -0.190615 2.496633
H -4.818094 1.262617 1.868324
H -4.329252 1.503116 -2.524096
H -5.355064 0.848335 -1.212680
H -2.213472 -1.425236 2.141401
H -1.720925 -2.476475 0.795882
H -0.268172 0.146507 1.538435
H 0.211260 -1.451875 2.145772
H -6.957925 0.093255 2.071210
H -6.226381 -1.467963 2.587839
H -7.251434 -1.387596 1.110014
H -0.052332 -0.863436 -0.867920
H 0.668719 -2.294034 -0.085758
H 0.014307 1.264885 -0.633357
H 1.891492 -2.717960 -1.695186
H 4.317631 3.229492 1.028526
H 6.448881 -1.507948 -0.010306
H 3.849576 -4.094504 -2.347163
H 2.407003 4.747571 0.385948
H 6.156189 -3.504699 -1.516869


