%chk=000212242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212242

0 1
Cl 7.006296 1.311829 0.001348
S 0.382391 1.062699 0.000865
O -1.095057 -2.552055 -0.002644
N -1.828668 -0.347133 -0.000445
N -2.337735 1.915249 0.002116
C -3.248501 -0.269584 -0.000112
C -1.366229 1.028468 0.001014
C -3.546996 1.143484 0.001442
C -0.839594 -1.375983 -0.001641
C 0.497526 -0.706053 -0.000869
C -4.249601 -1.238570 -0.001023
C -4.876329 1.573705 0.002090
C 1.664520 -1.351981 -0.001494
C -5.566589 -0.777399 -0.000356
C 2.974160 -0.673851 -0.000773
C -5.873074 0.598193 0.001174
C 3.600049 -0.364633 -1.218885
C 3.598835 -0.364764 1.217999
C 4.852582 0.253308 -1.222374
C 4.851364 0.253170 1.222804
C 5.459585 0.551727 0.000533
H -4.007025 -2.299929 -0.002203
H -5.110639 2.637625 0.003279
H 1.704056 -2.452932 -0.002621
H -6.383618 -1.500144 -0.001025
H -6.919393 0.904179 0.001656
H 3.108625 -0.602030 -2.163360
H 3.106464 -0.602264 2.161957
H 5.347519 0.499665 -2.162639
H 5.345376 0.499405 2.163588


%chk=000212242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212242

0 1
Cl 7.265313 1.175800 0.001617
S 0.337848 1.279287 0.002757
O -1.079157 -2.490750 -0.004013
N -1.874448 -0.258927 0.000061
N -2.453428 1.971935 0.004120
C -3.289768 -0.243537 0.000078
C -1.461488 1.101243 0.002481
C -3.632617 1.152591 0.002613
C -0.875154 -1.250816 -0.001718
C 0.468711 -0.567377 -0.000679
C -4.250624 -1.266825 -0.001797
C -4.984293 1.543466 0.003286
C 1.637933 -1.259746 -0.002244
C -5.605245 -0.853896 -0.001080
C 3.001569 -0.655056 -0.001314
C -5.964025 0.521829 0.001402
C 3.665149 -0.372205 -1.224377
C 3.662068 -0.368960 1.222662
C 4.962390 0.186660 -1.229854
C 4.959331 0.189851 1.229935
C 5.591549 0.458791 0.000478
H -3.967130 -2.322380 -0.003706
H -5.255375 2.602861 0.005206
H 1.542442 -2.356730 -0.004275
H -6.394134 -1.613473 -0.002473
H -7.024314 0.796179 0.001871
H 3.168557 -0.585791 -2.176696
H 3.163092 -0.580087 2.174283
H 5.470470 0.406941 -2.173152
H 5.465077 0.412521 2.173928


