%chk=000060122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060122

0 1
 S   -6.112300     -0.1450000     -0.1485000    
 O    1.429000      0.3129000       1.101800    
 O   -5.994100      -1.545400     -0.5195000    
 O   -6.488900      0.2312000       1.204100    
 O    2.780800      -2.061100      0.5933000    
 N    6.531200      0.4244000      -1.110600    
 C   -3.407600      0.1101000      0.2296000    
 C   -2.085800      0.7885000     -0.1398000    
 C   -4.595600      0.6628000     -0.5456000    
 C  -0.9230000      0.2091000      0.6642000    
 C   0.3898000      0.9058000      0.3354000    
 C   -7.282100      0.6060000      -1.258200    
 C    2.686800      0.3308000      0.5569000    
 C    3.357300     -0.8610000      0.3046000    
 C    3.279800       1.553300      0.2608000    
 C    4.636800     -0.8300000     -0.2503000    
 C    5.237500      0.3928000     -0.5497000    
 C    4.559000       1.584400     -0.2940000    
 C    2.001300      -2.669600     -0.4345000    
 H   -3.590300      0.2276000       1.305000    
 H   -3.322000     -0.9685000      4.7699999E-02
 H   -2.164500       1.866000      4.8799999E-02
 H   -1.894100      0.6599000      -1.211800    
 H   -4.728300       1.729300     -0.3372000    
 H   -4.434900      0.5347000      -1.621200    
 H  -0.8258000     -0.8660000      0.4683000    
 H   -1.120900      0.3008000       1.739500    
 H   0.3256000       1.970400      0.5879000    
 H   0.5947000      0.8122000     -0.7391000    
 H   -6.969100      0.4102000      -2.285400    
 H   -8.261200      0.1594000      -1.073300    
 H   -7.316100       1.678800      -1.060200    
 H    2.766100       2.489000      0.4627000    
 H    5.161800      -1.762100     -0.4469000    
 H    5.017400       2.543600     -0.5211000    
 H    6.966900       1.310700      -1.328400    
 H    7.023600     -0.4391000      -1.296900    
 H    2.636100      -2.935100      -1.285700    
 H    1.197100      -2.003300     -0.7610000    
 H    1.556200      -3.583400     -3.1399999E-02


%chk=000060122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060122

0 1
S -6.399408 0.012686 -0.180752
O 1.368788 -0.471745 0.030834
O -6.448205 -1.167732 -1.314408
O -6.506998 -0.336537 1.415012
O 3.467867 -2.182923 0.963086
N 6.832746 1.036200 -0.342199
C -3.571025 0.056468 -0.138091
C -2.210981 0.759580 -0.375534
C -4.738820 0.993248 -0.447399
C -1.023441 -0.175570 -0.049940
C 0.324690 0.493438 -0.334492
C -7.790508 1.270346 -0.593445
C 2.714758 -0.055084 -0.121526
C 3.730516 -0.949864 0.334754
C 3.106385 1.188711 -0.666610
C 5.086195 -0.576778 0.253656
C 5.479211 0.682437 -0.277906
C 4.465632 1.560922 -0.746102
C 2.577621 -3.132745 0.266261
H -3.640122 -0.282849 0.912983
H -3.642080 -0.841837 -0.781177
H -2.147939 1.673058 0.250934
H -2.145783 1.091452 -1.432455
H -4.815436 1.849696 0.243209
H -4.781064 1.311797 -1.502524
H -1.098021 -1.102194 -0.650666
H -1.056798 -0.475771 1.014342
H 0.445289 1.419748 0.267242
H 0.411825 0.758780 -1.410380
H -7.660452 1.570734 -1.642415
H -8.722289 0.708258 -0.440990
H -7.696347 2.106529 0.113280
H 2.351325 1.895323 -1.024679
H 5.828073 -1.293796 0.621954
H 4.736104 2.536554 -1.166537
H 7.117889 1.931118 -0.726594
H 7.550902 0.409526 0.006387
H 2.987842 -3.385512 -0.731270
H 1.561430 -2.720064 0.160839
H 2.568829 -4.030505 0.903620


