%chk=000211318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211318

0 1
Cl -0.360625 -2.762471 0.091832
S -3.302501 -1.442385 -0.164400
O -4.391220 -0.552426 -0.503282
O -3.047923 -2.634732 -0.934248
O 0.167157 3.847718 -0.040002
O -2.067378 3.822746 0.024126
N 1.868545 -0.817362 0.370426
N -3.574353 -1.940122 1.451861
C 4.331029 -0.915219 0.136984
C 3.088629 -0.016604 0.056880
C 0.603568 -0.238890 0.149247
C 5.607719 -0.103007 -0.121444
C -1.832759 -0.495527 -0.044325
C -0.563745 -1.053900 0.063377
C 0.430076 1.161525 0.126298
C -0.850490 1.712787 0.021137
C -1.984127 0.894497 -0.066319
C 6.852626 -0.982928 -0.049766
C -1.042688 3.182983 0.004415
H 4.261199 -1.743901 -0.594780
H 4.388052 -1.396702 1.134960
H 3.163667 0.804347 0.808346
H 3.021337 0.461217 -0.946802
H 5.689683 0.718842 0.617794
H 5.553077 0.385219 -1.114837
H 1.962378 -1.804816 0.120158
H 1.290522 1.833810 0.199313
H -2.982420 1.352545 -0.158832
H 7.761576 -0.396993 -0.231603
H 6.961207 -1.454445 0.934134
H 6.828061 -1.785256 -0.796389
H -4.396048 -1.590911 1.939577
H -3.418768 -2.915205 1.696371
H 0.048633 4.836866 -0.050805


%chk=000211318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211318

0 1
Cl -0.350774 -2.790638 0.190654
S -3.438664 -1.423832 -0.001017
O -4.659596 -0.350886 0.052551
O -3.364188 -2.564204 -1.152782
O 0.156016 3.978408 -0.183645
O -2.164297 3.870458 -0.179090
N 1.873075 -0.744570 0.067412
N -3.410413 -2.211080 1.655374
C 4.342678 -0.914364 0.063481
C 3.123277 0.026717 0.031041
C 0.616074 -0.176380 0.026993
C 5.680298 -0.141214 0.024970
C -1.834855 -0.397961 0.015630
C -0.566446 -0.986036 0.059757
C 0.425302 1.236019 -0.045823
C -0.866277 1.801951 -0.080734
C -2.025340 0.987622 -0.050922
C 6.906126 -1.078667 0.048517
C -1.061842 3.277376 -0.150915
H 4.295039 -1.607906 -0.800869
H 4.304883 -1.536256 0.981265
H 3.167891 0.722585 0.895969
H 3.160788 0.648431 -0.888922
H 5.726996 0.553033 0.888107
H 5.712588 0.488770 -0.886768
H 1.936086 -1.762793 0.114716
H 1.289000 1.902828 -0.071852
H -3.029941 1.420765 -0.081612
H 7.849935 -0.505019 0.020385
H 6.915250 -1.699043 0.964250
H 6.900504 -1.762232 -0.821036
H -4.324594 -2.030468 2.102312
H -3.182343 -3.212675 1.553191
H -0.038537 4.952562 -0.231185


