%chk=000125490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125490

0 1
 S   0.7135000       3.281600      -1.029300    
 O   -2.130400     -0.2031000     -0.4338000    
 O   -6.071200      0.6213000      0.4002000    
 O   -4.017900       2.535000       1.116900    
 O   -5.083500      -2.077600      0.6765000    
 O   -3.071100      -3.580300     -0.4371000    
 O   -1.750300      -2.315000      -1.797400    
 O    4.272000      0.4146000     -8.6900003E-02
 O    6.975500      -1.695700      0.5970000    
 O    6.877300      0.3048000     -0.3016000    
 N   -1.507400       2.046200     -0.2448000    
 N   0.5600000      0.9380000      5.0600000E-02
 N    6.297900     -0.6972000      0.2124000    
 C   -4.717300      0.2854000      0.7108000    
 C   -3.800100       1.420100      0.2533000    
 C   -4.375600      -1.030800      1.3800000E-02
 C   -2.330700      0.9954000      0.3135000    
 C   -2.876400      -1.301000      8.0700003E-02
 C   -2.488500      -2.421000     -0.8294000    
 C  -0.1296000       1.966800     -0.3474000    
 C    1.893600       1.195900     -0.2007000    
 C    2.172500       2.414700     -0.7824000    
 C    2.945800      0.2193000      0.1361000    
 C    2.729100      -1.009100      0.7158000    
 C    4.004000      -1.607000      0.8579000    
 C    4.909000     -0.7013000      0.3551000    
 H   -4.669600      0.1712000       1.801400    
 H   -4.079200       1.732200     -0.7608000    
 H   -4.719500      -1.006700      -1.028300    
 H   -2.023500      0.8310000       1.355000    
 H   -2.529600      -1.544400       1.092500    
 H   -1.974900       2.890200     -0.5651000    
 H   -6.644100     -4.5299999E-02  0.8150000    
 H   -3.744000       2.279400       2.014300    
 H   -6.031100      -1.951500      0.5010000    
 H   -2.829900      -4.328500      -1.023800    
 H    3.127300       2.833700      -1.068900    
 H    1.777400      -1.433500       1.004600    
 H    4.228100      -2.578200       1.275900    


%chk=000125490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125490

0 1
S 0.837518 3.118222 -1.587517
O -2.523548 -0.261715 -0.945919
O -5.779658 0.892892 1.427408
O -3.471394 2.545670 1.336414
O -5.332491 -1.928110 0.954362
O -2.096310 -2.847473 -1.830195
O -4.326006 -3.259584 -1.355045
O 4.305721 0.458991 0.068774
O 7.008193 -1.564498 1.282373
O 7.020947 0.373939 0.037851
N -1.505818 1.870296 -0.660741
N 0.611287 0.891282 -0.093621
N 6.416093 -0.580306 0.669648
C -4.481542 0.303369 1.096985
C -3.673825 1.425106 0.425508
C -4.624198 -0.913446 0.175202
C -2.293181 0.879764 0.010035
C -3.205057 -1.367648 -0.258998
C -3.287504 -2.566984 -1.198112
C -0.129790 1.812138 -0.681209
C 1.985468 1.128741 -0.299155
C 2.312082 2.248981 -1.055310
C 2.935813 0.200949 0.274216
C 2.781800 -0.968963 1.028831
C 4.092865 -1.469083 1.310649
C 4.986784 -0.582289 0.715808
H -3.963682 -0.018315 2.027987
H -4.228409 1.749429 -0.483841
H -5.198061 -0.634195 -0.732940
H -1.731905 0.493068 0.883906
H -2.632223 -1.682143 0.644734
H -1.982077 2.653337 -1.106336
H -6.353566 0.174338 1.798420
H -4.350777 2.742236 1.755178
H -5.525704 -2.686817 0.339918
H -2.205464 -3.637283 -2.428663
H 3.300265 2.608663 -1.331115
H 1.827112 -1.394943 1.325169
H 4.367842 -2.358014 1.871941


