%chk=000212006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212006

0 1
Cl 4.725902 2.226582 -0.144081
S 0.421570 -2.223313 0.221135
O -4.664445 0.612981 -0.587800
N -3.036892 0.082684 0.989770
N -3.702094 2.351019 0.568639
C -2.076872 -1.449832 -0.778057
C -0.676134 -1.054103 -0.532590
C 1.349040 0.129684 -0.370988
C -2.957390 -1.309814 0.480829
C 1.760493 -1.098670 0.204029
C -0.048349 0.120057 -0.777837
C 2.273710 1.179720 -0.485287
C 3.058423 -1.309628 0.664653
C 3.565177 0.953385 -0.019334
C 3.975064 -0.264938 0.551039
C -3.859821 0.979240 0.254354
H -2.141466 -2.494529 -1.155226
H -2.518051 -0.832524 -1.598985
H -3.991313 -1.661445 0.242820
H -2.571854 -1.945170 1.309567
H -0.502174 0.988307 -1.239544
H 1.986617 2.133156 -0.925584
H 3.353935 -2.263011 1.101614
H -2.146758 0.439243 1.346815
H 5.001063 -0.386915 0.898356
H -3.338219 2.628506 1.467465
H -4.434365 2.963429 0.223929


%chk=000212006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212006

0 1
Cl 4.883279 2.267559 -0.307696
S 0.389854 -2.248881 0.368093
O -4.724857 0.708637 -0.603615
N -3.053133 0.075052 0.907164
N -3.842009 2.296435 0.864635
C -2.093669 -1.454983 -0.864459
C -0.658858 -1.097638 -0.602618
C 1.397856 0.098438 -0.461721
C -3.007619 -1.295824 0.392921
C 1.767819 -1.074342 0.274010
C 0.026616 0.052932 -0.935257
C 2.360090 1.129408 -0.641370
C 3.055504 -1.236804 0.821467
C 3.634863 0.951580 -0.086786
C 4.003867 -0.206855 0.639631
C -3.919710 1.008166 0.332481
H -2.182157 -2.498159 -1.225256
H -2.495300 -0.798253 -1.657067
H -4.034348 -1.581578 0.108608
H -2.663804 -1.966569 1.201051
H -0.435198 0.854669 -1.517523
H 2.110988 2.035921 -1.200463
H 3.330001 -2.137830 1.378510
H -2.294740 0.385947 1.515191
H 5.012244 -0.299785 1.051777
H -3.294211 2.534313 1.688691
H -4.468571 2.992546 0.469305


