%chk=000208938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208938

0 1
Cl -4.602069 -2.418166 -0.158682
S 1.148195 0.216710 1.871848
N 1.225730 -1.416272 -0.343698
N 3.259419 -0.496368 0.439206
C -0.546785 0.485494 1.222430
C -1.036099 -0.728042 0.490565
C -0.515486 1.746468 0.405973
C -0.171101 -1.597479 -0.217817
C -2.415190 -0.992145 0.499749
C 1.901292 -0.665082 0.489714
C -0.698665 -2.719713 -0.900680
C -0.751096 2.974885 1.047239
C -0.248250 1.726760 -0.970844
C -2.904641 -2.103475 -0.180412
C -2.064059 -2.975226 -0.883689
C 4.086604 -1.200324 -0.581211
C -0.716701 4.165263 0.317678
C -0.216318 2.921350 -1.695807
C -0.449664 4.141667 -1.055203
C 5.556595 -1.149665 -0.187531
H -1.168921 0.635961 2.148690
H -3.100075 -0.328495 1.029613
H -0.015159 -3.378105 -1.440404
H -0.956910 3.006774 2.115720
H -0.066930 0.781061 -1.484290
H 3.724318 0.160679 1.057905
H -2.476763 -3.838014 -1.407080
H 3.732531 -2.256133 -0.672658
H 3.920026 -0.725815 -1.576789
H -0.899048 5.113889 0.820055
H -0.009740 2.898037 -2.764946
H -0.424937 5.070040 -1.622299
H 5.944119 -0.124453 -0.143925
H 5.738520 -1.617543 0.789074
H 6.169159 -1.692223 -0.920490


%chk=000208938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208938

0 1
Cl -4.740131 -2.587632 -0.123225
S 1.083504 0.060343 2.094722
N 1.190497 -1.377431 -0.330199
N 3.209860 -0.505674 0.494286
C -0.609034 0.464183 1.225994
C -1.093756 -0.778760 0.500695
C -0.491590 1.732389 0.393248
C -0.195826 -1.616801 -0.236408
C -2.473572 -1.090253 0.530292
C 1.850203 -0.688358 0.567275
C -0.717830 -2.739001 -0.935895
C -0.597921 2.992332 1.039746
C -0.282509 1.698830 -1.009174
C -2.952908 -2.210351 -0.170541
C -2.091601 -3.045398 -0.910094
C 4.037181 -1.126263 -0.558604
C -0.492111 4.192584 0.306101
C -0.173986 2.900705 -1.744106
C -0.276670 4.150506 -1.091929
C 5.529518 -1.008325 -0.209421
H -1.253803 0.658957 2.100214
H -3.168290 -0.451659 1.085795
H -0.017053 -3.365112 -1.496235
H -0.759456 3.029624 2.124649
H -0.216927 0.738025 -1.528905
H 3.637164 0.182705 1.114965
H -2.483630 -3.912842 -1.448644
H 3.730585 -2.183266 -0.654731
H 3.824080 -0.646675 -1.534907
H -0.582331 5.156545 0.819369
H -0.015581 2.860373 -2.827703
H -0.197460 5.080860 -1.665384
H 5.843076 0.049261 -0.120244
H 5.759662 -1.522938 0.740668
H 6.140546 -1.469183 -1.004665


