%chk=000171264.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171264

0 1
 S    1.658600     -0.4405000      0.9835000    
 O   0.4779000      -3.035800     -0.1271000    
 O    5.325400      1.9400001E-02   1.003600    
 O    4.680800     -0.3647000      -1.137200    
 O   -5.205700      0.1091000     -0.5355000    
 N    3.898400       2.457800     -0.8418000    
 N   -3.214400       1.086900      0.2625000    
 C    3.560600       1.387100      9.8099999E-02
 C    2.125000      0.9151000     -0.1401000    
 C  -2.4300000E-02 -0.7574000      0.4681000    
 C   -2.278800      5.6100000E-02  0.1687000    
 C  -0.9586000      0.2734000      0.5631000    
 C  -0.4089000      -2.005400     -2.0800000E-02
 C   -2.664000      -1.192000     -0.3206000    
 C   -1.729200      -2.222800     -0.4154000    
 C    4.571700      0.2726000     -9.6000001E-02
 C   -4.572100       1.057100     -8.2900003E-02
 C   -5.242700       2.384000      0.1699000    
 H    3.655200       1.781700       1.117200    
 H    1.437400       1.755500      3.7000000E-03
 H    2.003500      0.5552000      -1.168800    
 H  -0.6736000       1.247800      0.9544000    
 H   -3.665900      -1.435900     -0.6452000    
 H   -2.043400      -3.190300     -0.7985000    
 H    4.816000       2.837700     -0.6113000    
 H    3.238500       3.227400     -0.7350000    
 H   -2.856300       1.966800      0.6283000    
 H   2.1400001E-02  -3.815800     -0.4864000    
 H   -5.193500       2.625500       1.235400    
 H   -6.291500       2.333600     -0.1355000    
 H   -4.743400       3.168100     -0.4063000    
 H    5.957400     -0.7155000      0.8528000    


%chk=000171264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171264

0 1
S 1.301689 1.461275 1.043303
O 1.200509 -1.474938 0.004664
O 6.011235 -0.015873 -0.734415
O 4.360750 0.208077 -2.347941
O -5.379537 -0.512038 -0.371360
N 4.452787 1.017011 1.193243
N -3.831223 1.119482 0.303317
C 3.752231 0.413013 0.048456
C 2.552236 1.279679 -0.383611
C -0.144346 0.490380 0.464124
C -2.597915 0.411272 0.193745
C -1.409436 1.111623 0.528088
C -0.068039 -0.862680 0.044604
C -2.511700 -0.937744 -0.238371
C -1.247501 -1.555084 -0.312458
C 4.688390 0.221017 -1.141624
C -5.121941 0.660954 0.033760
C -6.225747 1.690649 0.267946
H 3.344669 -0.605175 0.260815
H 2.884872 2.304543 -0.610634
H 2.025990 0.846123 -1.245262
H -1.454259 2.162336 0.839905
H -3.422009 -1.474888 -0.507747
H -1.184157 -2.599650 -0.645180
H 5.419452 0.701552 1.306713
H 3.902342 0.976609 2.056014
H -3.752952 2.086576 0.624626
H 1.118393 -2.415974 -0.290140
H -6.931962 1.293637 1.017586
H -6.790660 1.828661 -0.669930
H -5.860156 2.674306 0.610993
H 6.579494 -0.162927 -1.538329


