%chk=000050334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050334

0 1
 Cl  -2.204600       3.759200      -1.850800    
 S    1.780200      0.7154000       1.978900    
 O    6.124400     -0.4781000     -0.4667000    
 N   -1.723400      -1.170700      0.2927000    
 N   -4.540700      -1.585100      0.1744000    
 C   -2.557400     -0.8434000       1.448400    
 C   -2.272700      -2.194400     -0.5954000    
 C   -3.977400     -0.5016000      0.9925000    
 C   -3.698900      -1.823700      -1.006900    
 C  -0.4532000     -0.6921000      0.1532000    
 C  -0.3242000      0.7910000      0.1101000    
 C   -5.910600      -1.267600     -0.2265000    
 C   0.6046000      -1.523000      4.4300001E-02
 C   0.5956000       1.513900      0.8978000    
 C    2.030700      -1.174100     -8.0399998E-02
 C   -1.182300       1.514200     -0.7417000    
 C    2.669100     -0.2264000      0.7414000    
 C   0.6245000       2.916800      0.8384000    
 C    2.796600      -1.888800      -1.015200    
 C   -1.140200       2.908100     -0.7998000    
 C    4.046500      1.9999999E-04  0.6052000    
 C  -0.2406000       3.609100     -6.3000000E-03
 C    4.165000      -1.651400      -1.148600    
 C    4.788900     -0.7074000     -0.3393000    
 H   -2.152100     -6.0000003E-04   2.021100    
 H   -2.577000      -1.704400       2.128900    
 H   -2.263700      -3.164200     -8.2099997E-02
 H   -1.666500      -2.300600      -1.503700    
 H   -4.596600     -0.3473000       1.884400    
 H   -3.969200      0.4426000      0.4321000    
 H   -3.677500     -0.9352000      -1.652100    
 H   -4.111700      -2.648900      -1.599600    
 H   -6.344000      -2.093700     -0.8011000    
 H   -5.964600     -0.3579000     -0.8356000    
 H   -6.546900      -1.130800      0.6549000    
 H   0.4257000      -2.598400      5.6499999E-02
 H   -1.893300      0.9831000      -1.373200    
 H    1.327600       3.486400       1.442500    
 H    2.332900      -2.639700      -1.651900    
 H    4.544800      0.7333000       1.236700    
 H  -0.1960000       4.694600     -3.7599999E-02
 H    4.738200      -2.211200      -1.882500    
 H    6.390000      0.2058000      0.1719000    


%chk=000050334-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050334

0 1
Cl -2.183392 4.353311 -1.373795
S 1.906745 0.677014 2.024015
O 6.238995 -0.877606 -0.531472
N -1.849309 -0.802369 0.022303
N -4.569819 -1.781848 0.164232
C -2.763419 -0.390236 1.124178
C -2.200875 -2.129706 -0.521385
C -4.227494 -0.430091 0.662995
C -3.678103 -2.154173 -0.955632
C -0.481546 -0.415670 0.116272
C -0.280190 1.063111 0.234147
C -5.997646 -1.914437 -0.182336
C 0.538166 -1.331726 -0.077235
C 0.743715 1.679368 1.005053
C 1.991224 -1.127034 -0.173143
C -1.163834 1.911242 -0.495982
C 2.740240 -0.249272 0.662229
C 0.870748 3.086896 1.051911
C 2.741490 -1.921680 -1.095100
C -1.026637 3.304132 -0.425326
C 4.142956 -0.132139 0.557033
C -0.022159 3.921108 0.346017
C 4.138220 -1.832696 -1.207282
C 4.842707 -0.927464 -0.379397
H -2.501182 0.628500 1.452400
H -2.638770 -1.075636 1.992063
H -2.027842 -2.936615 0.228148
H -1.567974 -2.333936 -1.403723
H -4.884089 -0.188991 1.519517
H -4.386151 0.352936 -0.124086
H -3.806048 -1.463731 -1.830222
H -3.934452 -3.176750 -1.290852
H -6.211921 -2.955013 -0.485480
H -6.316554 -1.238063 -1.015743
H -6.617528 -1.682596 0.702126
H 0.234335 -2.371409 -0.250534
H -1.942035 1.447807 -1.108675
H 1.673387 3.530006 1.649333
H 2.198876 -2.617907 -1.745152
H 4.675536 0.565072 1.215202
H 0.066753 5.010008 0.390776
H 4.695881 -2.444688 -1.921778
H 6.638997 -0.214029 0.083680


