%chk=000189419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189419

0 1
Cl 4.071039 3.583379 0.223090
S -0.771602 -4.431590 0.406552
N -0.002503 0.150129 0.121461
C 1.035846 -0.756814 0.186181
C -1.302630 -0.300859 0.144509
C 2.424321 -0.192328 0.157005
C -2.380341 0.735264 0.071884
C 0.795327 -2.150495 0.282881
C -1.608924 -1.689239 0.219967
C -0.545992 -2.622972 0.294473
C 2.589473 1.220164 0.196833
C 3.583763 -1.012144 0.088970
C -3.722714 0.455670 0.448952
C -2.063594 2.045525 -0.380848
C 3.881477 1.765841 0.169848
C 4.872135 -0.436206 0.063313
C -4.718929 1.452724 0.366744
C -3.059372 3.040683 -0.465789
C 5.039915 0.966997 0.104188
C -4.393182 2.749025 -0.094478
C -2.636331 -4.622310 0.304184
H 1.622314 -2.861923 0.350001
H -2.649210 -2.019021 0.197102
H 1.696701 1.846545 0.251353
H 3.496495 -2.101971 0.045353
H -3.995529 -0.531845 0.837276
H -1.028057 2.257121 -0.661121
H 5.756738 -1.079543 0.008299
H -5.746083 1.221237 0.670279
H -2.796813 4.043051 -0.821958
H 6.034740 1.420891 0.084527
H -5.166969 3.522137 -0.158546
H -2.815447 -5.708224 0.318358
H -3.018657 -4.199720 -0.637845
H -3.125402 -4.157281 1.174098


%chk=000189419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189419

0 1
Cl 4.061863 3.547965 0.641659
S -0.767841 -4.433249 0.400362
N -0.003504 0.144925 0.096310
C 1.025649 -0.758233 0.170394
C -1.293766 -0.308539 0.111894
C 2.407867 -0.189887 0.148360
C -2.366451 0.727712 0.030215
C 0.791106 -2.150914 0.281230
C -1.600669 -1.695990 0.185395
C -0.543338 -2.625466 0.279921
C 2.574556 1.205028 0.365204
C 3.558369 -0.990152 -0.086494
C -3.708047 0.456342 0.413939
C -2.044134 2.030887 -0.436949
C 3.865037 1.753547 0.353915
C 4.845162 -0.411526 -0.093897
C -4.699997 1.455951 0.323313
C -3.035564 3.028735 -0.529938
C 5.017208 0.973973 0.130513
C -4.369728 2.746096 -0.152604
C -2.635897 -4.617153 0.420753
H 1.621766 -2.854254 0.384295
H -2.640511 -2.026104 0.146272
H 1.685967 1.817465 0.535884
H 3.459358 -2.061595 -0.286656
H -3.982231 -0.526086 0.814271
H -1.007631 2.234459 -0.721099
H 5.724474 -1.036809 -0.281371
H -5.727274 1.232083 0.631973
H -2.769843 4.026239 -0.897213
H 6.011131 1.430311 0.127584
H -5.140532 3.521633 -0.223129
H -2.817407 -5.698657 0.515418
H -3.075005 -4.252481 -0.520667
H -3.068140 -4.094358 1.288040


