%chk=000111251.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111251

0 1
 S   -1.556200      -1.061200      -1.047200    
 O   -2.406000      -1.416500      0.3044000    
 O   -2.479000     -0.6420000      -2.090000    
 O  -0.6048000      -2.139200      -1.271500    
 N    2.895000       1.213900      1.0300000E-02
 N    3.484200      3.1900000E-02 -0.1798000    
 N    3.640300       2.270900      0.3383000    
 C    4.779100      0.3174000      4.5200001E-02
 C    5.930300     -0.5238000      8.9999998E-04
 C    1.514900       1.342900     -0.1322000    
 C    4.875800       1.745700      0.3757000    
 C  -0.6293000      0.3631000     -0.6176000    
 C    7.163500      0.1264000      0.2998000    
 C   0.7521000      0.2329000     -0.4746000    
 C   -1.237300       1.602400     -0.4173000    
 C   0.9171000       2.581200      6.9300003E-02
 C    6.101600       2.368600      0.6672000    
 C    7.222900       1.516900      0.6171000    
 C  -0.4642000       2.711200     -7.3799998E-02
 C    5.882500      -1.896700     -0.3116000    
 C    8.327700     -0.6552000      0.2703000    
 C   -2.676900       1.783700     -0.5553000    
 C    7.061400      -2.636400     -0.3301000    
 C    8.277600      -2.019000     -4.0500000E-02
 C   -3.573900       1.676500      0.4511000    
 C   -3.272400      -2.478600      0.3972000    
 C   -5.027300       1.878700      0.3160000    
 C   -2.800500      -3.711800      0.8267000    
 C   -4.608100      -2.304200      6.0199998E-02
 C   -5.611900       1.790200     -0.9367000    
 C   -5.780700       2.151800       1.446000    
 C   -3.680100      -4.790200      0.9210000    
 C   -5.487800      -3.382600      0.1545000    
 C   -6.988000       1.979800      -1.062900    
 C   -7.156800       2.341400       1.319800    
 C   -5.023800      -4.625600      0.5850000    
 C   -7.760600       2.255400      6.5300003E-02
 H    1.220600     -0.7341000     -0.6280000    
 H    1.481700       3.469900      0.3375000    
 H    6.189600       3.419700      0.9123000    
 H    8.194100       1.963500      0.8377000    
 H  -0.9215000       3.685200      8.5600004E-02
 H    4.939900      -2.387000     -0.5386000    
 H    9.296000     -0.2095000      0.4904000    
 H   -2.980200       2.064200      -1.560100    
 H    7.034500      -3.695300     -0.5700000    
 H    9.195100      -2.601000     -5.6200001E-02
 H   -3.219300       1.429900       1.450000    
 H   -1.755200      -3.844000       1.090600    
 H   -4.974500      -1.339600     -0.2769000    
 H   -5.053600       1.554700      -1.837100    
 H   -5.324800       2.222600       2.430000    
 H   -3.318900      -5.758000       1.256300    
 H   -6.533900      -3.254300     -0.1076000    
 H   -7.459500       1.907400      -2.038700    
 H   -7.758500       2.555600       2.198200    
 H   -5.708800      -5.465200      0.6583000    
 H   -8.832300       2.401500     -3.2800000E-02


%chk=000111251-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111251

0 1
S -1.442594 -1.370735 -1.233478
O -2.231348 -1.924902 0.542224
O -2.662046 -1.051161 -2.266315
O -0.293221 -2.421059 -1.692520
N 2.901716 1.103211 0.212911
N 3.615810 -0.011858 -0.192137
N 3.637842 2.147877 0.749219
C 4.908765 0.340253 0.105141
C 6.121958 -0.414087 -0.089121
C 1.487831 1.172357 0.087087
C 4.923856 1.663662 0.682895
C -0.609718 0.190988 -0.560437
C 7.344720 0.230808 0.329097
C 0.780379 0.073656 -0.445489
C -1.374800 1.327302 -0.168137
C 0.796054 2.340782 0.494406
C 6.149551 2.285550 1.091910
C 7.320883 1.566145 0.909975
C -0.596598 2.406293 0.360955
C 6.159242 -1.718275 -0.656211
C 8.575556 -0.472190 0.158753
C -2.831864 1.399350 -0.312524
C 7.385191 -2.383693 -0.811345
C 8.597848 -1.758056 -0.402106
C -3.648307 2.319119 0.295432
C -3.212672 -2.904165 0.484142
C -5.107483 2.407075 0.138416
C -2.844126 -4.279603 0.510390
C -4.584413 -2.523426 0.457400
C -5.848995 1.577456 -0.756648
C -5.822862 3.366591 0.912748
C -3.850083 -5.264951 0.537757
C -5.580591 -3.519712 0.494302
C -7.246857 1.706504 -0.863344
C -7.223063 3.493992 0.806046
C -5.217450 -4.888848 0.530838
C -7.943131 2.662996 -0.082987
H 1.305782 -0.833233 -0.758328
H 1.367706 3.179652 0.898448
H 6.145749 3.287784 1.528369
H 8.279214 2.005922 1.209972
H -1.109937 3.327141 0.652835
H 5.221119 -2.189064 -0.967595
H 9.509936 0.007616 0.472882
H -3.282675 0.643210 -0.963804
H 7.411825 -3.387447 -1.248400
H 9.549891 -2.285036 -0.526874
H -3.212662 3.054827 0.987192
H -1.781253 -4.541819 0.516157
H -4.838810 -1.458626 0.432832
H -5.332392 0.841130 -1.382607
H -5.269095 4.013472 1.604885
H -3.574454 -6.324733 0.564058
H -6.637943 -3.233639 0.489685
H -7.798293 1.065374 -1.560065
H -7.751457 4.238174 1.411950
H -5.995599 -5.659794 0.551664
H -9.030735 2.759939 -0.171401


