%chk=000117758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117758

0 1
 S   -2.262400      -2.198600      4.9999999E-03
 O   -3.147400      -3.286400     -0.3816000    
 O  -0.9700000      -2.047500     -0.6463000    
 O   -7.338900       1.482300     -0.2537000    
 O   -7.270600     -0.6912000      4.6399999E-02
 N    4.972700      0.9904000      0.3874000    
 N   -1.098600      0.5724000     -0.4414000    
 N  -0.6124000      0.7537000      0.6995000    
 N   -6.697800      0.4101000     -0.1362000    
 N    7.219200      -3.206200     -0.5589000    
 C    5.767000     -0.2134000      0.5306000    
 C    5.643000       2.257900      0.1764000    
 C    3.565600      0.9310000      0.4658000    
 C    5.797100      -1.003400     -0.7736000    
 C   -3.153400     -0.7007000     -0.1596000    
 C    2.810000       2.096900      0.3403000    
 C    2.929500     -0.2938000      0.6691000    
 C    5.648800       2.645600      -1.287900    
 C   -2.500400      0.5122000     -0.3623000    
 C   0.7826000      0.8135000      0.6213000    
 C    1.418500       2.038100      0.4181000    
 C    1.538000     -0.3525000      0.7468000    
 C   -4.546000     -0.7348000     -8.4600002E-02
 C   -5.280300      0.4442000     -0.2126000    
 C   -3.229800       1.691300     -0.4903000    
 C   -1.954100      -2.334300       1.750200    
 C   -4.622100       1.657200     -0.4154000    
 C    6.592200      -2.234300     -0.6525000    
 H    5.437300     -0.8270000       1.378800    
 H    6.800600      5.1399998E-02  0.7935000    
 H    5.230800       3.057300      0.8027000    
 H    6.688900       2.185500      0.5019000    
 H    6.230100     -0.3863000      -1.569200    
 H    4.790100      -1.265400      -1.113700    
 H    3.241300       3.078500      0.1800000    
 H    3.457300      -1.233900      0.7836000    
 H    6.200100       1.915300      -1.888100    
 H    4.642700       2.723600      -1.709300    
 H    6.140800       3.615300      -1.416700    
 H   0.8375000       2.951600      0.3196000    
 H    1.058000      -1.310800      0.9213000    
 H   -5.048800      -1.683600      8.3499998E-02
 H   -2.725900       2.641100     -0.6494000    
 H   -2.910300      -2.380600       2.275200    
 H   -1.370500      -1.478800       2.089500    
 H   -1.393300      -3.255700       1.922500    
 H   -5.161400       2.595300     -0.5195000    


%chk=000117758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117758

0 1
S -2.648456 -0.381997 2.341426
O -3.951835 -0.683339 3.289276
O -1.350849 -1.364506 2.461084
O -7.501755 -0.799868 -1.848485
O -7.535726 -0.680025 0.433054
N 5.107817 0.081491 0.145981
N -1.216224 -0.237680 -0.829690
N -0.563012 0.239952 0.211634
N -6.916261 -0.691913 -0.699629
N 7.307688 -0.047913 -4.265340
C 5.865257 -0.335185 -1.045256
C 5.879293 0.515617 1.337753
C 3.712920 0.135512 0.130184
C 5.967543 0.796759 -2.123610
C -3.377380 -0.348038 0.540058
C 2.971541 0.613482 1.263706
C 2.961389 -0.304747 -1.018635
C 6.086873 2.044937 1.441900
C -2.618871 -0.310722 -0.672788
C 0.841181 0.186634 0.113319
C 1.574512 0.634050 1.249032
C 1.567081 -0.290124 -1.021503
C -4.768845 -0.490258 0.548194
C -5.442323 -0.568651 -0.689547
C -3.347490 -0.434362 -1.896390
C -2.160771 1.425706 2.721120
C -4.743113 -0.546751 -1.918482
C 6.703804 0.345666 -3.314288
H 5.413906 -1.235098 -1.499629
H 6.883826 -0.617185 -0.730620
H 5.375633 0.135781 2.245086
H 6.861482 0.011900 1.298638
H 6.478622 1.677567 -1.694344
H 4.955066 1.123417 -2.424473
H 3.488740 0.961122 2.160700
H 3.476666 -0.680146 -1.907012
H 6.693648 2.428151 0.602428
H 5.123469 2.583210 1.441711
H 6.617537 2.289881 2.379764
H 1.018415 0.973811 2.127863
H 1.005345 -0.642804 -1.891502
H -5.313199 -0.560369 1.498278
H -2.763850 -0.433487 -2.821725
H -3.094407 2.002297 2.667780
H -1.422139 1.704267 1.960508
H -1.755632 1.393548 3.742802
H -5.301816 -0.627090 -2.854129


