%chk=000011330.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011330

0 1
 S   -1.572200      -1.850600       1.021800    
 S    5.087900     -0.4981000      -1.215700    
 O  -0.6281000       2.428100      0.5598000    
 O   -4.900500       1.664200      0.1615000    
 O   -3.832100       1.020900      -1.746500    
 O    2.374300      -1.851500     -0.5143000    
 N   -1.648900      0.4386000     -0.1955000    
 N    1.477500      0.2780000     -0.7409000    
 C  -0.8189000     -0.7685000     -0.2473000    
 C   -3.256800      -1.126100      0.6949000    
 C   -2.964000      0.3623000      0.4079000    
 C   0.3626000      0.1029000      0.2003000    
 C  -0.6448000       1.270100      0.2089000    
 C   -4.121400      -1.293300       1.945800    
 C   -3.879700      -1.890900     -0.4809000    
 C   -3.918600       1.033000     -0.5276000    
 C    2.399300     -0.7303000      -1.019600    
 C    3.469300     -0.3194000      -2.002400    
 C    4.845000      0.6460000      0.1635000    
 C    6.074300      0.6981000       1.012700    
 C    6.095700      0.3864000       2.313600    
 H  -0.7633000      -1.192000      -1.254800    
 H   -2.916200      0.9458000       1.337700    
 H   0.7448000     -0.1070000       1.207500    
 H   -5.111400     -0.8487000       1.793300    
 H   -4.272600      -2.350200       2.194300    
 H   -3.675300     -0.8037000       2.819200    
 H   -4.894000      -1.531200     -0.6888000    
 H   -3.298300      -1.783600      -1.403400    
 H   -3.963500      -2.962300     -0.2621000    
 H    1.595100       1.173000      -1.209900    
 H   -5.538000       2.111000     -0.4353000    
 H    3.410500     -0.9807000      -2.872100    
 H    3.339900      0.7087000      -2.352000    
 H    4.642500       1.647200     -0.2304000    
 H    3.987200      0.3354000      0.7673000    
 H    6.998000       1.036900      0.5490000    
 H    7.017900      0.4580000       2.880000    
 H    5.203400      5.6299999E-02   2.833900    


%chk=000011330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000011330

0 1
S -2.211159 -2.411455 0.139112
S 5.206977 -0.804612 -0.264706
O 0.477200 0.863284 1.799491
O -4.233994 2.020993 1.081806
O -2.840942 2.254581 -0.768336
O 2.518889 -3.128946 -0.146324
N -1.239201 0.071260 0.265441
N 1.676789 -1.022835 -0.673085
C -0.937022 -1.162165 -0.505678
C -3.486308 -0.947756 0.340513
C -2.591137 0.304764 0.766277
C 0.499304 -1.167678 0.149517
C 0.011445 0.104422 0.931131
C -4.479839 -1.321722 1.453697
C -4.194593 -0.736160 -1.015084
C -3.184314 1.616607 0.243192
C 2.670642 -2.007851 -0.708637
C 3.942347 -1.599399 -1.440929
C 4.385885 0.910078 -0.002943
C 5.423416 1.870705 0.510184
C 5.385081 2.433286 1.744942
H -0.984449 -1.073313 -1.600617
H -2.567892 0.367662 1.870296
H 0.647285 -2.039840 0.810392
H -5.161679 -0.472897 1.645412
H -5.089960 -2.192448 1.155897
H -3.956832 -1.569331 2.393624
H -4.968345 0.051717 -0.934019
H -3.488304 -0.443190 -1.810937
H -4.691700 -1.670730 -1.322795
H 1.846545 -0.127609 -1.135800
H -4.622924 2.872366 0.742217
H 4.444525 -2.502214 -1.819363
H 3.754602 -0.901375 -2.276630
H 4.015889 1.224836 -0.998256
H 3.544801 0.801592 0.700508
H 6.249233 2.104542 -0.176107
H 6.157887 3.135344 2.076764
H 4.578455 2.208289 2.453231


