%chk=000216576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216576

0 1
Cl -2.524926 -2.716303 -0.118261
S 2.390658 1.126560 -0.268557
S -2.929365 0.523712 -0.222290
O 2.797711 1.358118 -1.630465
O 2.157795 2.234122 0.628863
O -2.720113 1.916867 -0.571214
O -3.868652 -0.294706 -0.955119
N 3.651357 0.143154 0.434806
N 2.472982 -1.940067 -0.157280
N -3.429003 0.452635 1.424609
C 1.048030 0.051551 -0.225513
C 1.225107 -1.355957 -0.189450
C 3.764790 -1.163120 -0.205668
C -0.245955 0.575518 -0.231774
C -1.378505 -0.243977 -0.200649
C 0.078671 -2.205417 -0.157382
C -1.180312 -1.634823 -0.164282
C 3.770655 0.167010 1.910335
C -3.676516 1.748515 2.099753
H 4.557102 -1.790477 0.270122
H 4.039994 -1.006668 -1.287541
H 2.548461 -2.953931 -0.101308
H -0.384076 1.673837 -0.260354
H 0.196519 -3.287025 -0.136309
H 3.655001 1.212374 2.266841
H 4.780236 -0.162189 2.210862
H 3.028207 -0.458037 2.430979
H -4.165727 -0.230430 1.647820
H -3.601666 1.606706 3.192082
H -4.663932 2.184404 1.872817
H -2.912731 2.495543 1.810228


%chk=000216576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216576

0 1
Cl -2.545839 -2.685721 0.228682
S 2.610079 1.177706 -0.479969
S -2.951064 0.674104 -0.213713
O 3.074539 1.242935 -2.031394
O 2.375450 2.518994 0.399508
O -2.580255 2.256931 -0.338735
O -3.926994 -0.057209 -1.287993
N 3.911312 0.083944 0.396931
N 2.577011 -1.957518 -0.070892
N -3.617421 0.364378 1.519036
C 1.121123 0.040087 -0.282337
C 1.323755 -1.368635 -0.126260
C 3.845029 -1.213859 -0.296520
C -0.151590 0.625665 -0.286109
C -1.277241 -0.197768 -0.141767
C 0.150734 -2.171131 0.030163
C -1.121927 -1.590443 0.014151
C 3.728450 0.102461 1.868223
C -3.954070 1.622066 2.238584
H 4.679659 -1.842071 0.059889
H 3.991952 -1.007624 -1.374180
H 2.625033 -2.966183 0.074661
H -0.288569 1.710299 -0.385189
H 0.248161 -3.253560 0.162689
H 3.616256 1.151274 2.188988
H 4.656225 -0.294730 2.318560
H 2.862791 -0.487320 2.235018
H -4.438195 -0.249180 1.350141
H -4.171424 1.331695 3.282643
H -4.815182 2.180953 1.824192
H -3.075989 2.286959 2.239700


