%chk=000216844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216844

0 1
Cl 5.363631 2.720512 1.627080
Cl 0.237437 2.635693 -2.784903
S -5.361458 0.788169 0.362543
P 2.091790 -0.907061 0.509814
O 3.203997 -1.326960 -0.665987
O 2.452955 -1.365955 1.872950
O -3.883937 0.223152 -0.236623
O -5.041629 1.753553 1.379917
O -6.140193 -0.371760 0.700657
N 0.570127 -1.499854 -0.130381
N 2.026162 0.818034 0.324614
C 0.664830 -2.925078 -0.575286
C 1.783923 -3.075063 -1.617946
C -0.593759 -1.224091 0.764987
C 3.158431 -2.718568 -1.051765
C -1.765672 -0.771982 -0.122279
C 2.955860 1.587897 1.188341
C 1.849467 1.329588 -1.063438
C -2.984619 -0.387976 0.712729
C 4.439442 1.406815 0.838105
C 0.436630 1.916276 -1.153574
C -5.926308 1.541311 -1.091820
H 0.814461 -3.640321 0.267518
H -0.309909 -3.201720 -1.043147
H 1.563621 -2.424812 -2.493485
H 1.791158 -4.111795 -2.007355
H -0.887087 -2.111529 1.371265
H -0.359386 -0.418438 1.501993
H 3.951737 -2.771178 -1.824811
H 3.453190 -3.351738 -0.191918
H -2.036301 -1.555542 -0.856079
H -1.449700 0.100545 -0.748490
H 2.782345 1.295907 2.256448
H 2.672776 2.666952 1.123198
H 1.981270 0.534784 -1.837498
H 2.603619 2.112349 -1.312241
H -2.745706 0.356197 1.497562
H -3.485337 -1.268483 1.157705
H 4.633388 1.461853 -0.248992
H 4.848576 0.445567 1.210550
H 0.262379 2.708690 -0.403657
H -0.351014 1.134976 -1.027724
H -6.872432 1.117392 -1.465661
H -6.097734 2.625013 -0.984822
H -5.212221 1.443280 -1.929997


%chk=000216844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216844

0 1
Cl 5.189331 2.729043 2.488689
Cl 0.729507 3.018573 -2.898167
S -5.560341 0.729583 0.534712
P 2.220128 -0.937156 0.430579
O 3.276423 -1.527092 -0.831960
O 2.595594 -1.365039 1.923804
O -4.083899 -0.122208 -0.256629
O -5.042324 2.084543 1.258167
O -6.451657 -0.336680 1.361831
N 0.641992 -1.438759 -0.208507
N 2.319402 0.777120 0.206622
C 0.575187 -2.842790 -0.730419
C 1.649449 -3.127938 -1.799526
C -0.519929 -1.044989 0.639933
C 3.071130 -2.942909 -1.250029
C -1.785168 -0.783151 -0.211197
C 2.932629 1.586796 1.288764
C 2.164315 1.385372 -1.133110
C -2.944595 -0.297555 0.672541
C 4.468328 1.504877 1.241499
C 0.857085 2.188351 -1.203453
C -6.379918 1.117796 -1.130304
H 0.664638 -3.577135 0.103504
H -0.424625 -2.976356 -1.178808
H 1.501146 -2.455212 -2.663707
H 1.529309 -4.170307 -2.153714
H -0.730462 -1.820507 1.409152
H -0.247228 -0.120320 1.183831
H 3.842157 -3.113567 -2.017964
H 3.265111 -3.610180 -0.386428
H -2.104771 -1.702429 -0.734125
H -1.564908 -0.025818 -0.984104
H 2.578381 1.223806 2.268193
H 2.603674 2.634517 1.169905
H 2.161538 0.594792 -1.901615
H 3.023768 2.047943 -1.349743
H -2.703550 0.668941 1.158007
H -3.199223 -1.047765 1.446352
H 4.880307 1.796417 0.263811
H 4.830935 0.512320 1.544888
H 0.816667 3.006912 -0.469496
H -0.024695 1.539170 -1.116883
H -7.333964 1.606984 -0.890916
H -5.683966 1.776272 -1.664788
H -6.514109 0.150334 -1.631094


