%chk=000021319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021319

0 1
 Cl   2.399500      -1.298600       2.748600    
 S   -1.322700      0.8798000      -1.601100    
 F    1.746500      -1.478500      -2.324500    
 O   -1.751100      0.3290000       2.749200    
 O   -5.369900      -1.031700     -2.9700000E-02
 O   -5.174500      0.9172000       1.136300    
 O    1.498000       2.866500     -0.5440000    
 O    4.981600      0.4941000     -0.4023000    
 N   -2.567400       1.079600      0.6658000    
 N   0.6071000       1.192100      0.7664000    
 N    4.313900     -0.7181000     -0.2768000    
 C   -1.682000       1.923900     -0.1417000    
 C   -2.998600      7.5199999E-02  -1.486300    
 C   -3.248100     -3.2099999E-02  3.3500001E-02
 C  -0.6759000       1.864000       1.015800    
 C   -1.717900      0.9799000       1.729600    
 C   -4.001200      0.9638000      -2.235100    
 C   -2.932800      -1.306400      -2.139800    
 C   -4.682300      3.2299999E-02  0.4521000    
 C    1.619800       1.762100     -1.4900000E-02
 C    2.857000      0.9810000     -0.1469000    
 C    3.027900     -0.3901000     -0.1233000    
 C    4.084900       1.510100     -0.3213000    
 C    2.031000      -1.416200      3.7599999E-02
 C    4.630900       2.869400     -0.4363000    
 C    1.673700      -1.898000       1.297200    
 C    1.416700      -1.929200      -1.104900    
 C   0.7023000      -2.892400       1.413800    
 C   0.4455000      -2.923700     -0.9881000    
 C   8.8399999E-02  -3.405300      0.2712000    
 H   -2.110600       2.907600     -0.3539000    
 H   -2.818600     -0.9529000      0.4508000    
 H  -0.5304000       2.822200       1.529000    
 H   -4.103900       1.952800      -1.774300    
 H   -3.702900       1.110500      -3.280200    
 H   -4.997700      0.5088000      -2.254700    
 H   -2.629500      -1.241300      -3.191300    
 H   -2.227900      -1.966700      -1.626500    
 H   -3.910700      -1.799500      -2.117100    
 H   0.8020000      0.3381000       1.272700    
 H   -6.314500      -1.007400      0.2337000    
 H    5.723400       2.869100     -0.3689000    
 H    4.351700       3.313900      -1.396600    
 H    4.247900       3.510300      0.3640000    
 H   0.4108000      -3.277900       2.387500    
 H  -3.0700000E-02  -3.323900      -1.878200    
 H  -0.6687000      -4.178600      0.3617000    


%chk=000021319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021319

0 1
Cl 2.544694 -1.148894 2.850033
S -1.613559 0.491140 -1.862694
F 2.330070 -1.719585 -2.321737
O -1.560446 -0.035280 2.402213
O -5.984609 -0.444971 0.315231
O -5.469630 1.810715 0.574105
O 1.850561 3.048463 0.778191
O 5.290236 0.711137 -0.384145
N -2.654381 1.066215 0.529953
N 0.671989 1.099995 0.305632
N 4.641980 -0.608657 -0.351397
C -1.747491 1.740535 -0.435919
C -3.474047 -0.016846 -1.549998
C -3.684273 0.158329 0.026234
C -0.602473 1.671452 0.650649
C -1.607379 0.748650 1.440844
C -4.368089 0.927631 -2.382220
C -3.648680 -1.487113 -1.969407
C -5.100497 0.645701 0.343583
C 1.854984 1.825398 0.426863
C 3.105702 1.089169 0.106142
C 3.350012 -0.332938 -0.058103
C 4.346520 1.695499 -0.098565
C 2.406072 -1.473373 0.080557
C 4.824165 3.106718 -0.083890
C 1.960914 -1.959092 1.338635
C 1.925702 -2.168485 -1.056040
C 1.079212 -3.049964 1.458653
C 1.054802 -3.267426 -0.987412
C 0.632720 -3.703449 0.287362
H -2.059936 2.727024 -0.802241
H -3.554158 -0.824837 0.516301
H -0.421673 2.648761 1.130178
H -4.259044 1.981201 -2.072936
H -4.096859 0.852176 -3.448073
H -5.433670 0.644992 -2.280015
H -3.494161 -1.606098 -3.056201
H -2.932878 -2.141692 -1.441937
H -4.674522 -1.822668 -1.729551
H 0.696395 0.132679 -0.025516
H -6.907937 -0.130145 0.514998
H 5.652802 3.228636 0.636633
H 5.201464 3.404322 -1.079079
H 3.989752 3.760798 0.209380
H 0.750849 -3.378105 2.447642
H 0.725701 -3.756082 -1.907926
H -0.046907 -4.556834 0.372789


