%chk=000240374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240374

0 1
Cl 2.359397 -0.583058 3.065856
S 0.282037 0.110381 -1.097805
O 1.042002 0.791127 -2.125988
O -0.170788 -1.242125 -1.307735
O -3.121854 -0.696195 -2.192728
O -3.870770 -2.127572 1.360990
N -0.968200 2.497684 -0.550485
N -2.769946 -0.590880 0.073103
N 1.252442 0.107228 0.341767
N -2.978749 1.874173 0.293613
C -0.994757 1.096549 -0.565070
C -2.273257 0.736781 -0.058836
C -2.165865 2.935804 -0.017545
C 0.142954 3.330435 -1.014078
C 2.648579 -0.127695 0.387697
C -2.912279 -1.349823 -1.204062
C -3.314789 -1.051898 1.327679
C 3.282560 -0.443227 1.612798
C 3.457491 -0.018171 -0.763280
C -2.722760 -2.814043 -1.113401
C -3.130632 -0.170232 2.518640
C 4.660266 -0.650277 1.693686
C 4.832129 -0.228836 -0.678873
C 5.440740 -0.545459 0.541887
H -2.439845 3.974279 0.124910
H 0.765799 -0.005769 1.243898
H 0.930582 3.414799 -0.239925
H 0.626134 2.889984 -1.923817
H -0.200381 4.344329 -1.281564
H 3.020161 0.244844 -1.734723
H -3.280114 -3.288726 -0.284432
H -3.020693 -3.308814 -2.050902
H -1.644724 -3.036940 -0.958081
H -2.099314 0.176746 2.654535
H -3.768114 0.732282 2.449106
H -3.429657 -0.702026 3.437117
H 5.118426 -0.894902 2.653513
H 5.440923 -0.144127 -1.580738
H 6.514665 -0.709726 0.592972


%chk=000240374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240374

0 1
Cl 2.444928 -1.181754 2.947256
S 0.413925 -0.093022 -0.851760
O 1.150100 0.345999 -2.237292
O -0.040569 -1.636545 -0.602267
O -2.797394 -0.868970 -2.291075
O -3.920527 -2.170221 1.534771
N -1.011112 2.369081 -0.681373
N -2.906427 -0.664658 0.027905
N 1.590217 0.713686 0.624709
N -3.114864 1.793859 -0.038320
C -1.046431 0.978049 -0.535795
C -2.350766 0.635814 -0.147159
C -2.283502 2.810619 -0.359972
C 0.126334 3.199329 -1.121733
C 2.931215 0.265530 0.587094
C -3.072087 -1.432520 -1.204493
C -3.310181 -1.089833 1.338966
C 3.501973 -0.591026 1.577381
C 3.781658 0.711154 -0.469050
C -3.539046 -2.864053 -1.112682
C -2.952848 -0.144628 2.477833
C 4.852304 -0.969759 1.552331
C 5.129571 0.312216 -0.522353
C 5.669459 -0.521112 0.487100
H -2.558426 3.862610 -0.378368
H 1.105623 0.360697 1.479051
H 0.983370 3.037693 -0.448233
H 0.416994 2.925376 -2.148533
H -0.183543 4.255296 -1.088856
H 3.351157 1.357615 -1.238369
H -4.557755 -2.931160 -0.697625
H -3.507440 -3.284596 -2.129220
H -2.892478 -3.446959 -0.435723
H -1.873273 0.091007 2.487003
H -3.502229 0.807635 2.380485
H -3.229773 -0.635465 3.421884
H 5.257804 -1.611192 2.339813
H 5.762910 0.654696 -1.346606
H 6.720927 -0.823584 0.452974


