%chk=000198691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198691

0 1
Cl -3.469687 -0.729682 -0.237321
S 0.607053 -2.009420 0.043854
O 1.154315 -2.706484 -1.089423
O 0.812119 -2.536252 1.367090
N -1.176439 0.543041 0.294464
N -1.094079 -1.816555 -0.179558
C 0.233974 0.742370 0.146901
C 1.106227 -0.349426 -0.005669
C -2.065331 1.706343 0.601775
C -1.741548 -0.724887 -0.037941
C 0.758680 2.058745 0.159315
C 2.480871 -0.114152 -0.177362
C -2.539119 2.425302 -0.654995
C 2.124309 2.262499 0.005927
C 2.995859 1.176760 -0.172402
H -2.927959 1.355593 1.214631
H -1.504709 2.407102 1.266792
H 0.103918 2.919697 0.284512
H 3.161224 -0.962704 -0.321599
H -1.704146 2.741790 -1.293743
H -3.189318 1.796199 -1.277997
H -3.115666 3.323482 -0.398440
H 2.523936 3.279211 0.017856
H 4.062716 1.347229 -0.303965


%chk=000198691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198691

0 1
Cl -3.528169 -0.682976 -0.666699
S 0.599787 -2.067252 0.233631
O 1.477780 -3.077802 -0.670450
O 0.426785 -2.337575 1.824160
N -1.177309 0.495538 0.150454
N -1.161190 -1.887037 -0.524693
C 0.234560 0.739868 0.057232
C 1.180661 -0.312645 -0.034887
C -2.064305 1.601207 0.642694
C -1.697915 -0.722318 -0.281781
C 0.755631 2.063932 0.021509
C 2.557581 -0.106672 -0.219639
C -2.572695 2.557725 -0.456054
C 2.137369 2.287877 -0.133015
C 3.045928 1.213870 -0.278068
H -2.919255 1.134164 1.156795
H -1.488207 2.146313 1.410009
H 0.086353 2.923108 0.093142
H 3.223668 -0.970976 -0.311297
H -1.750036 3.019676 -1.027352
H -3.227910 2.030127 -1.167185
H -3.159964 3.366988 0.014927
H 2.504258 3.319168 -0.159694
H 4.113793 1.401494 -0.421036


