%chk=000211051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211051

1 1
Cl 2.770619 -0.578948 1.850422
S 1.801718 1.204927 -1.794004
O -0.360638 1.084964 0.932853
O -0.295427 -1.083066 1.540832
N -3.255648 0.087075 -0.484648
N 1.758597 -0.529061 -1.830394
C -2.570123 1.348428 0.045527
C -2.241899 -0.968259 -0.856904
C -4.205439 -0.470277 0.551537
C -4.043102 0.466883 -1.723418
C -1.753931 1.171435 1.327243
C 1.712052 -0.048806 0.546826
C 2.106571 1.320246 0.013461
C 0.286911 -0.127147 1.090612
C 1.771103 -1.049228 -0.652225
C 1.827620 -2.494306 -0.347372
H -1.883050 1.752162 -0.748824
H -3.344764 2.138214 0.205489
H -1.757673 -1.414383 0.041132
H -2.702849 -1.807407 -1.411503
H -1.433696 -0.560870 -1.496616
H -4.746133 -1.360807 0.174391
H -3.670576 -0.793164 1.467998
H -4.968698 0.270164 0.854875
H -4.803936 1.241401 -1.511974
H -3.384090 0.856995 -2.524153
H -4.580348 -0.403018 -2.150016
H -1.776481 2.096203 1.946327
H -2.042194 0.303950 1.953640
H 1.529795 2.157744 0.450172
H 3.177515 1.554685 0.196763
H 1.584423 -3.121048 -1.222607
H 1.158619 -2.780798 0.481932
H 2.851650 -2.786783 -0.039974


%chk=000211051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211051

1 1
Cl 2.508712 0.051822 2.135993
S 1.631478 0.124753 -2.202948
O -0.396270 1.057789 0.840466
O -0.530305 -1.255273 1.025565
N -3.341128 0.352953 -0.592472
N 1.991807 -1.586145 -1.517972
C -2.819276 1.503459 0.309098
C -2.301256 -0.056363 -1.642419
C -3.738158 -0.871946 0.235106
C -4.577966 0.887453 -1.322168
C -1.773853 1.183936 1.382186
C 1.653891 -0.209063 0.458640
C 2.056038 0.901253 -0.515265
C 0.150517 -0.229354 0.804157
C 2.024780 -1.559722 -0.203082
C 2.323511 -2.802570 0.584152
H -2.437317 2.283060 -0.372198
H -3.709906 1.902564 0.827636
H -1.443368 -0.531148 -1.153737
H -2.770856 -0.775790 -2.330614
H -1.973325 0.835655 -2.196377
H -4.231842 -1.594778 -0.432417
H -2.834151 -1.325432 0.668516
H -4.439127 -0.561503 1.025851
H -5.362389 1.120206 -0.585766
H -4.303935 1.795575 -1.880937
H -4.940449 0.118208 -2.020377
H -1.722089 2.064333 2.044475
H -2.018864 0.294415 1.985798
H 1.497894 1.833832 -0.369720
H 3.142856 1.071125 -0.482920
H 2.479773 -3.650471 -0.099355
H 1.489955 -3.032479 1.272114
H 3.231114 -2.662256 1.198389


