%chk=000267969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267969

0 1
Cl 2.164012 -4.183949 -0.014569
S -2.349527 -1.334200 -0.005606
O -1.045494 1.027338 0.003938
O 5.164320 2.694086 0.010440
O 3.154219 3.494496 0.012522
N 0.255611 -0.866645 -0.002945
N 0.316366 -2.246013 -0.007883
N 3.950994 2.572855 0.009600
C 1.569082 -0.309084 -0.000812
C 2.475669 -1.418531 -0.004700
C 2.020103 1.018138 0.003957
C 3.860043 -1.203398 -0.003862
C 3.401286 1.188748 0.004642
C 1.615530 -2.593771 -0.008932
C 4.317891 0.105900 0.000835
C -1.007298 -0.168596 -0.000618
C -3.751541 -0.269733 -0.001727
C -4.315819 0.114940 -1.220389
C -4.316900 0.104498 1.219685
C -5.483452 0.885119 -1.211892
C -5.484533 0.874715 1.216746
C -6.065052 1.263043 0.003809
H 1.320368 1.865383 0.006949
H 4.547711 -2.050558 -0.006813
H 5.392393 0.325134 0.001694
H -3.858448 -0.175278 -2.167597
H -3.860368 -0.193821 2.164779
H -5.937059 1.194117 -2.153017
H -5.938987 1.175629 2.160078
H -6.973720 1.865937 0.005987


%chk=000267969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267969

0 1
Cl 2.325404 -4.316788 -0.014090
S -2.401612 -1.588195 -0.005601
O -1.104524 0.868817 0.003628
O 5.049364 2.832937 0.008861
O 2.886741 3.555399 0.011708
N 0.272598 -1.003929 -0.002697
N 0.381134 -2.410253 -0.007448
N 3.776006 2.622420 0.008515
C 1.539424 -0.381279 -0.000829
C 2.499212 -1.447019 -0.004493
C 1.918326 0.974804 0.003534
C 3.886174 -1.166118 -0.003799
C 3.306862 1.206936 0.004005
C 1.699903 -2.650241 -0.008491
C 4.290763 0.177163 0.000482
C -1.002943 -0.374086 -0.000502
C -3.784055 -0.355604 -0.001557
C -4.314455 0.094095 -1.229706
C -4.318714 0.080949 1.229485
C -5.397682 1.002556 -1.222279
C -5.401970 0.989419 1.228028
C -5.940223 1.450593 0.004369
H 1.200468 1.796351 0.006383
H 4.619032 -1.977866 -0.006593
H 5.345334 0.462160 0.001200
H -3.887543 -0.257086 -2.174376
H -3.895032 -0.280286 2.171817
H -5.812350 1.358953 -2.171174
H -5.819960 1.335613 2.179237
H -6.778282 2.156083 0.006683


