%chk=000191102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191102

0 1
Cl 3.770742 2.529772 -1.618920
S 4.385543 0.756398 -0.629314
O 4.551000 -0.192158 -1.685934
O 5.499114 1.160808 0.175484
N -1.721186 -0.636364 1.073970
C -2.674104 -1.773632 0.925591
C -2.346446 0.698716 1.324534
C -0.605853 -0.601061 0.156716
C -3.693665 -1.704336 -0.222425
C -2.875594 1.430096 0.080182
C 0.658423 -0.128961 0.688646
C 1.786847 -0.032729 -0.182639
C -4.691139 -2.865927 -0.147104
C -3.385506 2.831272 0.438951
C -0.678040 -1.033769 -1.152546
C 3.011292 0.492606 0.343669
C 0.813702 0.197455 2.065231
C 1.657859 -0.480134 -1.532573
C 0.464527 -0.981251 -1.990144
C -5.698264 -2.817687 -1.293439
C -3.926819 3.562028 -0.787306
C 3.109064 0.835831 1.683453
C 2.014013 0.669173 2.555754
H -2.068273 -2.704613 0.835096
H -3.213055 -1.848848 1.899292
H -3.166958 0.553099 2.061435
H -1.579649 1.331956 1.827274
H -3.165079 -1.721993 -1.200879
H -4.235431 -0.733852 -0.199225
H -3.691685 0.839395 -0.389215
H -2.080883 1.503241 -0.688419
H -4.149268 -3.832519 -0.168109
H -5.228764 -2.841247 0.821657
H -4.176977 2.761596 1.210915
H -2.567963 3.426001 0.893544
H -1.616827 -1.410468 -1.569643
H -0.035244 0.053541 2.743754
H 2.517133 -0.449470 -2.213525
H 0.374261 -1.336520 -3.019280
H -6.281579 -1.889799 -1.282665
H -6.408808 -3.650296 -1.230681
H -5.205332 -2.883392 -2.270228
H -4.765724 3.024959 -1.243863
H -4.283609 4.564830 -0.525021
H -3.156590 3.682497 -1.558700
H 4.048240 1.239067 2.090947
H 2.128051 0.915686 3.610702


%chk=000191102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191102

0 1
Cl 3.543010 2.708261 -2.231648
S 4.455211 1.020804 -0.674000
O 4.889260 -0.254540 -1.582101
O 5.552658 1.722454 0.295967
N -1.803947 -0.731743 0.840715
C -2.747947 -1.873493 0.758254
C -2.390225 0.575327 1.261049
C -0.595891 -0.770282 0.108038
C -3.927198 -1.755448 -0.245352
C -2.678071 1.547426 0.089276
C 0.611066 -0.141289 0.634303
C 1.792364 -0.045305 -0.217891
C -4.795817 -3.034326 -0.239307
C -3.291084 2.878376 0.581930
C -0.508770 -1.444373 -1.130119
C 2.902320 0.667069 0.346465
C 0.698555 0.304640 1.989483
C 1.800501 -0.677648 -1.498730
C 0.674943 -1.402168 -1.909842
C -6.007911 -2.937407 -1.190619
C -3.546270 3.873855 -0.570352
C 2.947564 1.192581 1.634921
C 1.837198 0.945691 2.489473
H -2.158350 -2.780232 0.529255
H -3.176045 -2.023509 1.771457
H -3.328047 0.346385 1.801395
H -1.731377 1.093086 1.980188
H -3.547190 -1.568334 -1.268928
H -4.561420 -0.886136 0.018798
H -3.358448 1.069608 -0.641874
H -1.731330 1.755087 -0.447525
H -4.170219 -3.905027 -0.523666
H -5.150612 -3.230957 0.793314
H -4.243246 2.674270 1.114118
H -2.610386 3.342083 1.325030
H -1.388132 -1.955039 -1.532135
H -0.134727 0.088927 2.663281
H 2.683932 -0.620735 -2.138150
H 0.688756 -1.910480 -2.879908
H -6.668844 -2.096843 -0.907477
H -6.611125 -3.863058 -1.169068
H -5.682617 -2.771175 -2.234675
H -4.244142 3.449479 -1.316355
H -3.983608 4.817699 -0.197222
H -2.604768 4.121431 -1.094523
H 3.830395 1.738139 1.982235
H 1.885527 1.255870 3.537524


