%chk=000198302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198302

0 1
Cl -6.229431 -2.631203 -0.741494
S 2.667298 -0.696386 -1.779376
P 3.188724 -0.300964 0.003132
O 4.797002 -0.196911 0.297006
O 2.826426 -1.196509 1.308099
O 2.918444 1.362251 0.454603
O -2.449498 1.681841 0.468166
N 0.875694 0.403767 0.326758
N -0.430990 0.406658 0.315415
C 5.598123 0.563115 -0.669517
C 1.969205 -2.372906 1.117132
C 1.582940 1.573023 0.475439
C 6.998615 0.452230 -0.098128
C 2.787860 -3.535675 0.596253
C 0.971186 2.841398 0.622908
C -1.079927 1.602416 0.440665
C -3.240447 0.553059 0.163030
C -0.410449 2.852746 0.602004
C -4.363400 0.435842 0.994829
C -3.007985 -0.282521 -0.933309
C -5.297841 -0.558863 0.704381
C -3.946647 -1.279845 -1.209259
C -5.074404 -1.400794 -0.390921
H 5.516175 0.091977 -1.668671
H 5.238051 1.608972 -0.693456
H 1.637623 -2.523993 2.166221
H 1.090946 -2.134516 0.485102
H 7.727020 0.994355 -0.710689
H 7.040669 0.853064 0.924883
H 7.317355 -0.597636 -0.032002
H 2.310459 -4.493378 0.839751
H 2.915475 -3.513282 -0.495833
H 3.793146 -3.550987 1.042435
H 1.574738 3.740599 0.742371
H -0.994018 3.769028 0.702679
H -4.494270 1.111426 1.838759
H -2.113996 -0.173313 -1.549597
H -6.186572 -0.680747 1.325078
H -3.799101 -1.955140 -2.053948


%chk=000198302-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198302

0 1
Cl -7.151981 -2.244767 -0.384192
S 3.306396 -0.796853 -2.172468
P 3.624354 -0.425038 -0.171690
O 5.207530 -0.034528 0.352052
O 3.318416 -1.603241 1.024338
O 2.882011 1.117558 0.439614
O -2.563286 1.580132 0.449448
N 0.768400 0.131949 0.228565
N -0.606030 0.211377 0.223962
C 5.985452 0.977354 -0.429582
C 2.316756 -2.693112 0.756630
C 1.508826 1.251291 0.433527
C 7.402165 0.934211 0.132617
C 3.014096 -3.924350 0.181498
C 0.942324 2.540125 0.657537
C -1.185326 1.421887 0.433855
C -3.551072 0.576355 0.236441
C -0.447603 2.624379 0.659563
C -4.866699 1.085043 0.346113
C -3.314170 -0.786106 -0.061621
C -5.968297 0.227950 0.157785
C -4.424679 -1.641752 -0.250919
C -5.729398 -1.129542 -0.139423
H 5.952552 0.703865 -1.501833
H 5.513011 1.966977 -0.287644
H 1.895406 -2.880012 1.758077
H 1.522676 -2.295819 0.100351
H 8.034561 1.671937 -0.395152
H 7.402273 1.178181 1.208182
H 7.844209 -0.067378 -0.000025
H 2.284441 -4.751584 0.092693
H 3.423272 -3.715294 -0.821655
H 3.834338 -4.255241 0.841248
H 1.587299 3.406322 0.818052
H -0.980788 3.563673 0.821643
H -5.012267 2.144174 0.576346
H -2.292989 -1.159009 -0.139808
H -6.989610 0.609241 0.240079
H -4.262370 -2.698157 -0.483303


