%chk=000198156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198156

0 1
Cl -3.020354 1.640775 2.557404
Cl 1.294193 4.207349 0.726263
Cl -1.431984 4.135178 2.289899
S -1.946759 -1.251490 1.232097
F 2.698436 -2.086282 -1.840628
F 3.082279 -0.256064 -2.843839
F 4.150774 -0.737691 -1.078352
O -0.986617 -2.221722 1.699129
O -3.159498 -1.049110 1.995544
N -2.372184 -1.590201 -0.385602
N 1.982901 1.289837 -0.477472
N 0.764986 -0.648788 -0.302624
C -1.131955 0.324839 1.106838
C 0.085842 0.361237 0.387382
C -1.641115 -2.698561 -1.069186
C -3.814052 -1.464401 -0.750621
C 0.844671 1.585915 0.276942
C -1.567188 1.503128 1.671325
C 0.381337 2.777581 0.871759
C 1.883348 -0.079306 -0.802335
C -0.815989 2.727083 1.555951
C -1.370075 -2.340943 -2.530390
C -4.284875 -0.017415 -0.615747
C 2.923749 -0.790458 -1.620817
H -0.666096 -2.870634 -0.544250
H -2.209984 -3.652775 -1.005352
H -3.939567 -1.800397 -1.805775
H -4.448904 -2.130218 -0.120489
H 2.716244 1.936799 -0.720458
H -2.293823 -2.227596 -3.107800
H -0.822727 -1.392067 -2.605340
H -0.761804 -3.114664 -3.011995
H -4.385662 0.278887 0.440681
H -3.597785 0.683646 -1.102839
H -5.270965 0.113032 -1.076101


%chk=000198156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198156

0 1
Cl -2.980826 1.707781 2.854714
Cl 1.490827 4.345450 0.796702
Cl -1.236577 4.341026 2.575399
S -1.958489 -1.261156 1.306663
F 2.184821 -1.128314 -2.931881
F 3.788202 0.291142 -2.151260
F 3.434007 -1.719795 -1.143157
O -0.811508 -2.288185 1.834366
O -3.362374 -1.160116 2.119631
N -2.302554 -1.511457 -0.614474
N 1.944446 1.386366 -0.494199
N 0.713395 -0.537139 -0.329275
C -1.087761 0.461688 1.199961
C 0.098489 0.477051 0.425079
C -1.675657 -2.810546 -1.030694
C -3.788284 -1.459238 -0.825660
C 0.862761 1.689093 0.325279
C -1.488300 1.639666 1.848505
C 0.470874 2.869878 0.974794
C 1.798856 0.044669 -0.852183
C -0.707676 2.843665 1.735583
C -1.288998 -2.715215 -2.519810
C -4.329355 -0.022173 -0.827787
C 2.781053 -0.637216 -1.753609
H -0.765595 -2.956589 -0.423043
H -2.353412 -3.672160 -0.848796
H -3.941031 -1.922291 -1.820478
H -4.334973 -2.082996 -0.086771
H 2.694856 2.016389 -0.780898
H -2.168889 -2.546717 -3.166976
H -0.574833 -1.890135 -2.673803
H -0.809032 -3.660096 -2.834634
H -4.284188 0.426150 0.179624
H -3.754781 0.606445 -1.530206
H -5.388698 -0.020422 -1.143502


