%chk=000036157.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036157

0 1
 Cl  -4.295500      -3.766500      0.2841000    
 S   -4.116100       2.466200     -4.3200001E-02
 O    7.595900      0.4438000      0.5908000    
 O  -0.6786000      0.4614000      -1.516800    
 O   -1.651800       3.259700      0.4815000    
 N    4.121900     -0.3134000     -0.4711000    
 N    1.260600     -0.1815000     -0.4115000    
 N   -2.064700      0.9368000      0.5221000    
 C    3.423200      0.1524000      0.7359000    
 C    3.367000      5.6699999E-02  -1.677100    
 C    2.015600     -0.4410000      0.8178000    
 C    1.962100     -0.5439000      -1.642100    
 C    5.476300      0.2352000     -0.5244000    
 C    6.302000     -0.1476000      0.7061000    
 C  -6.4099997E-02  0.2495000     -0.4683000    
 C  -0.7599000      0.4657000      0.8518000    
 C    6.494300      -1.651600      0.8530000    
 C   -3.167800      5.6400001E-02  0.3184000    
 C   -2.392900       2.294600      0.3663000    
 C   -4.357500      0.7131000      4.1000000E-03
 C   -3.131000      -1.330000      0.4085000    
 C   -5.530800      1.1700000E-02 -0.2266000    
 C   -4.308000      -2.047100      0.1781000    
 C   -5.500200      -1.380600     -0.1374000    
 H    3.923900     -0.1701000       1.652700    
 H    3.362100       1.248700      0.7511000    
 H    3.295900       1.148700      -1.768400    
 H    3.880500     -0.3169000      -2.571000    
 H    2.064500      -1.530400      0.9385000    
 H    1.507100     -4.1299999E-02   1.697400    
 H    1.397200     -0.2168000      -2.521000    
 H    2.011000      -1.639300      -1.675300    
 H    5.994100     -0.1314000      -1.421000    
 H    5.460200       1.330000     -0.6183000    
 H    5.883300      0.2698000       1.625400    
 H  -0.2346000       1.254700       1.400400    
 H  -0.7856000     -0.4416000       1.459000    
 H    7.146000      -1.873600       1.705300    
 H    6.986100      -2.070700     -3.2000002E-02
 H    5.545300      -2.173200       1.006500    
 H    8.096400      0.2213000       1.394400    
 H   -2.215000      -1.862000      0.6433000    
 H   -6.456400      0.5227000     -0.4712000    
 H   -6.415100      -1.940600     -0.3161000    


%chk=000036157-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036157

0 1
Cl -4.338647 -3.806598 0.047924
S -4.240467 2.598082 -0.058290
O 7.658010 0.605986 0.572684
O -0.619761 0.051664 -1.545453
O -1.622589 3.303212 0.595703
N 4.099220 -0.178568 -0.214420
N 1.229617 -0.404796 -0.201534
N -2.173050 1.001044 0.524831
C 3.303046 0.407557 0.889865
C 3.332966 -0.130827 -1.486883
C 1.982187 -0.373112 1.070347
C 2.017685 -0.919494 -1.345698
C 5.461074 0.401258 -0.320798
C 6.448972 -0.238781 0.675662
C -0.061626 0.052740 -0.408099
C -0.815719 0.566084 0.851845
C 6.743544 -1.711689 0.356606
C -3.239379 0.123062 0.248621
C -2.436097 2.376186 0.404829
C -4.452081 0.795298 -0.067724
C -3.189196 -1.286387 0.285118
C -5.624502 0.075518 -0.350500
C -4.378659 -1.983529 0.006604
C -5.592008 -1.338856 -0.309247
H 3.881203 0.352314 1.829776
H 3.066121 1.485611 0.699154
H 3.096871 0.918558 -1.793240
H 3.943066 -0.590094 -2.285287
H 2.221976 -1.411919 1.373776
H 1.384685 0.092617 1.869041
H 1.396260 -0.826005 -2.250557
H 2.249386 -1.988180 -1.168517
H 5.845318 0.222213 -1.341930
H 5.469064 1.504203 -0.157335
H 6.036004 -0.162640 1.706172
H -0.295327 1.445813 1.270826
H -0.857919 -0.216217 1.632740
H 7.387038 -2.175794 1.128589
H 7.253228 -1.797214 -0.620693
H 5.794706 -2.275381 0.310451
H 8.391439 0.181795 1.085529
H -2.262524 -1.826403 0.491451
H -6.555760 0.592700 -0.598995
H -6.490477 -1.923029 -0.523242


