%chk=000059901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059901

0 1
 Cl -0.2989000       5.257800      0.4053000    
 S   -2.555800      -3.171400      -1.586000    
 O   0.8494000      -1.584000       1.055800    
 O    1.015800      -3.118100     -0.6852000    
 N  -0.9336000      -2.878800      0.5508000    
 N   -3.427700      -1.989300     -0.7820000    
 N   -3.482500      0.2975000     -4.2399999E-02
 C    4.000700       1.325600      -1.286100    
 C    3.716600      0.2179000     -0.3288000    
 C    3.397300       2.667500     -0.8298000    
 C    3.531900       1.002000      -2.717400    
 C    2.399700     -0.1696000     -8.1200004E-02
 C    4.768000     -0.4309000      0.3184000    
 C    2.170500      -1.195200      0.8070000    
 C    4.502600      -1.467200       1.213600    
 C    3.185700      -1.854700       1.461200    
 C   -1.963100       1.712700       1.220500    
 C   -2.720300       1.472300      7.7299997E-02
 C   0.3702000      -2.582000      0.2102000    
 C   -1.213500       2.884600       1.322300    
 C   -2.733400       2.395300     -0.9651000    
 C   -1.936200      0.7344000       2.349200    
 C   -1.739800      -3.874300     -0.1254000    
 C   -1.223800       3.811800      0.2804000    
 C   -1.984000       3.567300     -0.8633000    
 C   -2.897500     -0.7287000     -0.5785000    
 C   -4.798300      -2.302500     -0.4006000    
 H    5.087500       1.476400      -1.341600    
 H    3.738000       2.924300      0.1794000    
 H    3.703200       3.475100      -1.503600    
 H    2.302200       2.641100     -0.8171000    
 H    2.442200      0.9093000      -2.780100    
 H    3.839600       1.792800      -3.410100    
 H    3.969400      5.9999999E-02  -3.066500    
 H    1.565300      0.3221000     -0.5725000    
 H    5.799800     -0.1419000      0.1371000    
 H    5.321100      -1.972600       1.717800    
 H    2.978400      -2.660600       2.158100    
 H  -0.6183000       3.076300       2.212400    
 H   -3.323000       2.213900      -1.859900    
 H   -1.361700     -0.1523000       2.068900    
 H   -2.951100      0.4337000       2.629800    
 H   -1.473300       1.162600       3.245000    
 H   -1.099400      -4.702600     -0.4422000    
 H   -2.482700      -4.251200      0.5835000    
 H   -1.357200      -2.362800       1.315300    
 H   -2.001600       4.280800      -1.683100    
 H   -1.855100     -0.6435000     -0.9413000    
 H   -5.026300      -1.891400      0.5891000    
 H   -5.497500      -1.869100      -1.123600    
 H   -4.984800      -3.381600     -0.3488000    


%chk=000059901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059901

0 1
Cl 0.160719 5.114829 -1.017400
S -3.001203 -3.758471 -1.150693
O 0.863293 -1.980397 0.607650
O 0.811027 -4.049595 -0.579214
N -0.956789 -3.293371 0.775190
N -3.589379 -2.190352 -0.522176
N -2.965601 0.023000 0.020742
C 3.769082 1.861201 -0.550395
C 3.591081 0.359965 -0.307509
C 3.273039 2.714214 0.646362
C 3.069689 2.297744 -1.867116
C 2.320760 -0.181623 0.012043
C 4.689938 -0.529742 -0.423999
C 2.177234 -1.567654 0.208265
C 4.525218 -1.919539 -0.227761
C 3.262213 -2.462114 0.095751
C -1.865129 2.042914 0.845246
C -2.215946 1.194258 -0.256503
C 0.298672 -3.201754 0.182386
C -1.140230 3.230583 0.590338
C -1.854436 1.580023 -1.579411
C -2.250303 1.656931 2.258252
C -1.900220 -4.297425 0.384129
C -0.780095 3.571551 -0.728110
C -1.131098 2.766301 -1.825559
C -2.756828 -1.081885 -0.652098
C -4.808128 -2.146124 0.305545
H 4.855742 2.047689 -0.669779
H 3.780578 2.422055 1.583585
H 3.469037 3.786138 0.461106
H 2.183441 2.599898 0.795724
H 1.977843 2.136417 -1.804593
H 3.238480 3.373505 -2.057475
H 3.451709 1.723337 -2.730528
H 1.437563 0.458472 0.113110
H 5.679999 -0.128662 -0.671642
H 5.385655 -2.590651 -0.324728
H 3.125135 -3.535971 0.236395
H -0.862167 3.886864 1.421169
H -2.173378 0.963202 -2.427397
H -1.648748 0.799466 2.616869
H -3.305859 1.335224 2.295322
H -2.099053 2.495504 2.959106
H -1.385015 -5.200943 0.022872
H -2.596353 -4.529511 1.201924
H -1.258202 -2.497073 1.340512
H -0.863233 3.060467 -2.844416
H -1.921900 -1.246794 -1.356907
H -4.617341 -2.483340 1.343777
H -5.155205 -1.100937 0.344381
H -5.580610 -2.789022 -0.146142


