%chk=000048196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048196

0 1
 S   0.3472000     -0.5168000       1.042700    
 O   -1.274800       1.557000      -1.605400    
 N  -0.9521000       2.275800      0.5349000    
 C   -1.236900     -0.1376000      0.1684000    
 C   -2.402900     -0.2576000       1.188400    
 C   -1.455400      -1.182000     -0.9604000    
 C   -1.161300       1.291600     -0.4094000    
 C   -3.795700      6.9600001E-02  0.6529000    
 C   -1.470500      -2.646700     -0.5280000    
 C    1.444600     -0.3147000     -0.3733000    
 C    2.860500     -0.5683000      3.6300000E-02
 C    3.840000      0.3416000     -7.0900001E-02
 C    5.257400      8.8000000E-02  0.3235000    
 H   -2.433100      -1.256500       1.639800    
 H   -2.225400      0.4263000       2.029700    
 H   -2.410700     -0.9745000      -1.460300    
 H  -0.7275000      -1.057100      -1.769400    
 H   -4.520300      5.3399999E-02   1.474000    
 H   -3.831800       1.064100      0.1990000    
 H   -4.127200     -0.6647000     -8.6199999E-02
 H   -1.649000      -3.278200      -1.405800    
 H  -0.5200000      -2.968700     -9.5399998E-02
 H   -2.273300      -2.860400      0.1820000    
 H    1.219900      -1.049700      -1.149100    
 H    1.346700      0.6866000     -0.8018000    
 H  -0.8904000       3.251700      0.2642000    
 H  -0.8214000       2.068000       1.519300    
 H    3.099300      -1.559400      0.4167000    
 H    3.614900       1.330300     -0.4620000    
 H    5.560300      0.7969000       1.100200    
 H    5.406200     -0.9252000      0.7098000    
 H    5.914400      0.2234000     -0.5409000    


%chk=000048196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048196

0 1
S 0.361422 -0.422801 0.956877
O -2.126464 1.570089 -1.529340
N -0.762602 2.285122 0.205942
C -1.352101 -0.135198 0.083813
C -2.375069 -0.249788 1.263228
C -1.595603 -1.171096 -1.040707
C -1.430795 1.305616 -0.501126
C -3.851365 -0.092451 0.834361
C -1.653427 -2.639507 -0.578456
C 1.588990 -0.188208 -0.500991
C 2.975310 -0.531135 -0.033309
C 3.983221 0.373966 0.089721
C 5.389200 0.050792 0.538131
H -2.231496 -1.233000 1.750058
H -2.127231 0.518214 2.020950
H -2.536015 -0.885501 -1.547164
H -0.812969 -1.051534 -1.814145
H -4.504332 -0.116422 1.725653
H -4.022493 0.861171 0.305588
H -4.169191 -0.909270 0.162427
H -1.754679 -3.308427 -1.452368
H -0.736671 -2.922536 -0.029889
H -2.517380 -2.829058 0.084270
H 1.253651 -0.870478 -1.300297
H 1.514066 0.855691 -0.848837
H -0.854703 3.255238 -0.093106
H -0.151096 2.021257 0.983522
H 3.160323 -1.585537 0.217666
H 3.778164 1.427328 -0.159016
H 5.659922 0.628579 1.443480
H 5.504431 -1.022705 0.768404
H 6.128683 0.317788 -0.241836


