%chk=000111766.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111766

0 1
 S    2.721500      -1.642400     -0.3761000    
 S   -2.709000       2.657300      0.1107000    
 S   -5.038100      0.8229000     -0.3427000    
 O  -8.2199998E-02   2.771900      0.2674000    
 O   -2.204100      -3.517400      0.2512000    
 O   -1.490200      -1.765000       1.502900    
 N    3.785700      0.7287000      9.8999999E-02
 N   -2.360800      0.1154000     -0.3316000    
 C    4.923400     -0.1885000      0.1827000    
 C    2.565300      9.1399997E-02 -7.9800002E-02
 C    4.533800      -1.465600     -0.5728000    
 C   7.8699999E-02 -5.8600001E-02 -0.2363000    
 C   -1.079600      0.6193000     -0.1739000    
 C    1.340900      0.6379000     -4.4599999E-02
 C    3.978700       2.112500      0.4812000    
 C   -2.566900      -1.309500     -0.6012000    
 C   8.3400004E-02  -1.538400     -0.5036000    
 C   -1.062900       2.070700      8.9400001E-02
 C   -3.386300       1.054600     -0.2144000    
 C   -2.031300      -2.197100      0.4925000    
 H    5.130200     -0.4174000       1.235500    
 H    5.828900      0.2480000     -0.2531000    
 H    4.748800      -1.357100      -1.641100    
 H    5.063400      -2.343800     -0.1937000    
 H    1.441700       1.682200      0.1479000    
 H    3.463800       2.785100     -0.2127000    
 H    5.039700       2.384300      0.4677000    
 H    3.599200       2.287900       1.493200    
 H   -2.277300      -1.534900      -1.631700    
 H   -3.643400      -1.511700     -0.5914000    
 H   0.7145000      -1.627200      -1.399500    
 H  -0.6472000      -2.071300      -1.088900    
 H   0.4189000      -2.167100      0.3261000    
 H   -1.844600      -4.072700      0.9754000    


%chk=000111766-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111766

0 1
S 3.211449 -1.825101 -0.823257
S -2.775502 2.657446 -0.257643
S -5.062821 0.629794 -0.693408
O -0.073017 2.764990 0.329612
O -2.131410 -3.240173 1.104285
O -2.077532 -1.160925 2.153746
N 3.825610 0.563491 0.170131
N -2.356454 0.058054 -0.480699
C 5.076290 -0.211699 0.328482
C 2.705452 -0.154781 -0.231089
C 5.039993 -1.316456 -0.738519
C 0.156716 -0.169841 -0.582935
C -1.023756 0.567417 -0.307236
C 1.409551 0.346339 -0.116412
C 3.716176 1.914020 0.743723
C -2.699038 -1.355475 -0.247886
C 0.097484 -1.425113 -1.442304
C -1.017378 1.994428 0.018351
C -3.408903 0.982380 -0.513624
C -2.260703 -1.840320 1.126559
H 5.140476 -0.651458 1.346834
H 5.945110 0.453121 0.179218
H 5.339174 -0.947831 -1.731206
H 5.627846 -2.201601 -0.457205
H 1.333552 1.290181 0.431547
H 3.079297 2.550696 0.105851
H 4.720920 2.363473 0.796425
H 3.276975 1.900118 1.761621
H -2.315194 -2.031204 -1.022328
H -3.810408 -1.407025 -0.296384
H 1.021325 -1.521702 -2.035913
H -0.738080 -1.371889 -2.159073
H -0.007024 -2.353823 -0.848870
H -1.929574 -3.565134 2.023302


