%chk=000002631.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002631

-1 1
 S   -1.620600      0.1206000      -2.492300    
 S    4.655000       3.046100       1.340700    
 O  -0.8312000      -3.226900      0.6381000    
 O   -5.171400       1.774300      0.1308000    
 O   -4.265600      -2.854600      0.6119000    
 O   -3.681700      -1.403300       2.281100    
 O    2.411700      6.0899999E-02  -2.101500    
 O    5.596800      -1.301800      0.7342000    
 O   -7.470600       1.644000      0.3155000    
 N   -1.707500      -1.206000     -0.1973000    
 N    1.511300      -1.282200     -0.3997000    
 N    4.424600      -1.560500      1.0100000E-02
 N    5.581900       1.218700     -0.2354000    
 N    7.006800       3.075500      9.9799998E-02
 C  -0.8298000     -0.3107000     -0.9257000    
 C   0.1759000      -1.483800     -0.9602000    
 C  -0.8114000      -2.192700      1.3000000E-02
 C   -3.010300     -0.9442000      7.9300001E-02
 C   -3.672600      5.0999999E-02 -0.5544000    
 C   -3.065700      0.8855000      -1.679500    
 C   -5.112100      0.4297000     -0.2950000    
 C   -3.726900      -1.825500       1.096200    
 C    2.483600     -0.5296000      -1.035700    
 C    3.778100     -0.4685000     -0.2669000    
 C    4.333500      0.8091000      0.1909000    
 C   -6.421600       2.267200      0.4072000    
 C    3.678000       1.667200       1.048800    
 C   -6.330600       3.697300      0.8456000    
 C    5.854900       2.384400      0.3075000    
 C    6.237600      -2.541300      0.9930000    
 H  -0.5079000      0.5464000     -0.3216000    
 H   0.2411000      -2.020300      -1.916600    
 H   -3.806800       1.046200      -2.469700    
 H   -2.773000       1.867100      -1.290900    
 H    1.753700      -1.707100      0.4925000    
 H   -5.690500      0.3056000      -1.219200    
 H   -5.572600     -0.2056000      0.4683000    
 H    2.704400       1.558200       1.505900    
 H   -5.730900       3.767400       1.756400    
 H   -7.334200       4.076600       1.058200    
 H   -5.891500       4.301400      4.7699999E-02
 H    7.741600       2.720400     -0.5031000    
 H    7.177900       3.973800      0.5395000    
 H    7.152900      -2.346700       1.558100    
 H    6.503100      -3.036100      5.3599998E-02
 H    5.587300      -3.188800       1.589600    


%chk=000002631-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002631

-1 1
S -1.939129 1.711252 -1.869784
S 7.090727 2.173605 -1.973741
O -0.361945 -2.700703 -1.680816
O -5.769330 0.522347 1.005995
O -4.446859 -3.026617 -0.224567
O -2.388765 -2.949589 0.901927
O 2.731721 1.018756 -2.328071
O 4.727700 -0.881656 1.604700
O -6.910513 2.130463 -0.260816
N -1.633728 -0.817730 -0.744523
N 1.529790 -0.165376 -0.720797
N 3.644258 -0.578704 0.718308
N 6.233922 0.974932 0.276523
N 8.451154 1.851181 0.475835
C -0.965195 0.498189 -0.786759
C 0.278711 -0.186920 -1.446842
C -0.560713 -1.523683 -1.340260
C -2.990223 -1.073657 -0.442676
C -3.885462 -0.025665 -0.527394
C -3.543464 1.418301 -0.873492
C -5.345106 -0.254502 -0.244572
C -3.309378 -2.504408 0.112397
C 2.683319 0.399193 -1.216583
C 3.912866 0.213255 -0.315220
C 5.180602 0.875774 -0.667567
C -6.548629 1.651721 0.846152
C 5.443478 1.453710 -1.910332
C -6.926012 2.223096 2.204001
C 7.280502 1.603794 -0.209098
C 4.205087 -1.811216 2.631517
H -0.806331 0.949963 0.205464
H 0.457237 0.138525 -2.485155
H -4.345562 1.859556 -1.491534
H -3.457023 2.034026 0.041924
H 1.623339 -0.686411 0.159250
H -5.987536 0.109137 -1.067435
H -5.531666 -1.316654 -0.016981
H 4.764684 1.513603 -2.756819
H -7.687602 1.576499 2.676329
H -7.337787 3.236104 2.080493
H -6.048367 2.240060 2.871054
H 8.520468 1.516702 1.433824
H 9.220514 2.361721 0.056041
H 5.074887 -2.029051 3.271505
H 3.824408 -2.734229 2.161295
H 3.401651 -1.330293 3.216101


