%chk=000179677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179677

-2 1
Cl -0.513382 2.412121 1.602791
Cl -3.178568 1.344117 0.518911
S 2.404031 0.660670 0.478003
O 2.811430 2.020753 0.005016
O 2.745446 0.531142 1.932304
O -3.000176 -1.221425 -1.068430
O -5.465055 -0.298028 1.306818
O -5.634071 0.118607 -0.876590
C 2.987888 -0.581690 -0.448617
C 0.704763 0.391068 0.210249
C 0.653429 -0.810571 -0.675229
C 4.409123 -0.915526 -0.596877
C 1.890196 -1.298059 -1.007576
C 4.955170 -1.671513 0.642554
C -0.458734 0.966944 0.568792
C -0.645868 -1.346563 -1.051264
C -1.751351 -0.676455 -0.635429
C -1.726135 0.487076 0.182097
C 6.452257 -1.976134 0.539632
C -3.918360 -1.501813 -0.014920
C -5.020304 -0.455464 -0.010425
H 4.566793 -1.539296 -1.499421
H 5.015583 0.001399 -0.752407
H 2.048740 -2.157376 -1.636442
H 4.737677 -1.057665 1.542341
H 4.375041 -2.599323 0.778260
H -0.690865 -2.243829 -1.642921
H 7.024209 -1.047392 0.446688
H 6.666894 -2.590842 -0.338170
H 6.806958 -2.504407 1.427093
H -4.346910 -2.488599 -0.268440
H -3.410539 -1.531274 0.974238
H -6.075711 0.462846 1.407569


%chk=000179677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179677

-2 1
Cl -0.890546 3.906196 1.402363
Cl -3.711365 2.280132 0.336044
S 3.811458 1.348267 0.637930
O 5.041746 1.684947 -0.489994
O 4.496931 0.652075 2.034406
O -3.094268 -0.616067 -0.637323
O -5.502310 -1.700073 -1.242519
O -5.638624 -2.723696 0.830078
C 3.121523 -0.289036 -0.226611
C 0.459542 1.455189 0.384687
C 0.554571 0.129915 -0.147848
C 4.279315 -1.170591 -0.635091
C 1.808833 -0.595899 -0.441287
C 4.792811 -2.069618 0.526288
C -0.736615 2.058900 0.573783
C -0.672551 -0.550005 -0.436136
C -1.911744 0.106885 -0.251857
C -1.940870 1.437533 0.247296
C 6.041075 -2.883375 0.118304
C -3.942264 -0.974210 0.498461
C -5.067528 -1.888039 0.075971
H 3.997784 -1.801289 -1.508203
H 5.095909 -0.476709 -0.944178
H 1.634817 -1.575271 -0.933868
H 5.007174 -1.385691 1.372706
H 3.979774 -2.754261 0.848388
H -0.687871 -1.581288 -0.820334
H 6.865126 -2.198812 -0.162093
H 5.833339 -3.535478 -0.756626
H 6.399244 -3.527263 0.947301
H -3.363435 -1.492259 1.289605
H -4.385330 -0.052214 0.942239
H -6.256054 -2.335396 -1.391683


