%chk=000056113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056113

0 1
 S    6.035200       1.210500     -0.1354000    
 O   -1.571000       1.766400     -0.2387000    
 O   -1.351900      -2.196400      0.1892000    
 O    5.901700       1.944000      -1.380200    
 O    6.059300       1.918300       1.131000    
 N   -6.116700      0.6929000      7.1900003E-02
 N   -2.529800      1.3400000E-02  0.9409000    
 N    3.421000      0.6562000      2.3000000E-02
 N    7.406500      0.1785000     -0.2320000    
 C   -4.735700      0.2144000     -8.0399998E-02
 C   -4.915800      -1.301100     -0.1902000    
 C   -6.332100      -1.501000     -0.7184000    
 C   -6.898100     -0.1000000     -0.8806000    
 C   -3.831900      0.5931000       1.086000    
 C   -6.263400       2.122000     -0.1757000    
 C   -7.707800       2.561200     -5.2299999E-02
 C   -1.486300      0.6561000      0.2797000    
 C  -0.2045000     -8.9900002E-02  0.1920000    
 C   0.9948000      0.6211000      0.1502000    
 C  -0.1906000      -1.484100      0.1496000    
 C    2.208000     -6.2100001E-02  6.5600000E-02
 C    4.701000      1.3200000E-02 -6.3900001E-02
 C    1.022600      -2.167300      6.5200001E-02
 C    2.221800      -1.456300      2.3200000E-02
 C    7.498200     -0.7521000      -1.384400    
 C    7.907100     -0.4339000       1.023900    
 C   -1.241800      -3.617300      0.1409000    
 H   -4.304100      0.5796000      -1.023800    
 H   -4.177500      -1.740200     -0.8702000    
 H   -4.816400      -1.804900      0.7791000    
 H   -6.338400      -2.049800      -1.665500    
 H   -6.919500      -2.076100      7.1999999E-03
 H   -6.749400      0.2398000      -1.913900    
 H   -7.970000     -9.6199997E-02 -0.6592000    
 H   -4.242500      0.2339000       2.036800    
 H   -3.725000       1.680400       1.162200    
 H   -5.880900       2.403100      -1.165000    
 H   -5.682900       2.684200      0.5642000    
 H   -2.376600     -0.8984000       1.360200    
 H   -8.330400       2.178800     -0.8672000    
 H   -8.144700       2.242000      0.9002000    
 H   -7.767000       3.654400     -9.0800002E-02
 H   0.9919000       1.708300      0.1877000    
 H    4.884900     -0.6101000      0.8167000    
 H    4.766200     -0.5832000     -0.9787000    
 H    3.369000       1.668100      6.0300000E-02
 H    1.111600      -3.247500      2.8400000E-02
 H    3.144200      -2.025800     -4.1299999E-02
 H    7.114500     -0.2826000      -2.294400    
 H    6.941200      -1.672200      -1.187000    
 H    8.547600      -1.004200      -1.567000    
 H    8.030400      0.3279000       1.798400    
 H    8.890500     -0.8837000      0.8536000    
 H    7.220700      -1.209000       1.375400    
 H   -2.259600      -4.019200      0.1822000    
 H  -0.7100000      -4.011500       1.013600    
 H  -0.8053000      -3.957100     -0.8044000    


%chk=000056113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056113

0 1
S 5.382338 -0.400508 -0.518918
O -1.820298 0.955354 1.448527
O -1.206859 -3.034725 0.057531
O 5.406651 -2.052688 -0.511253
O 4.347839 0.389421 -1.518491
N -5.908926 1.098786 -0.027011
N -2.839997 -1.008426 0.737703
N 3.116809 0.372251 1.373843
N 7.120130 0.028426 -1.264842
C -4.647813 0.368082 -0.364535
C -4.997617 -0.500921 -1.609620
C -6.548140 -0.465287 -1.686555
C -6.874060 0.940195 -1.142727
C -4.195366 -0.455747 0.874546
C -5.711639 2.473016 0.480238
C -6.973097 3.045655 1.152142
C -1.730249 -0.247449 1.024893
C -0.369939 -0.891627 0.833977
C 0.731882 -0.069752 1.149898
C -0.101184 -2.220115 0.377156
C 2.061060 -0.525614 1.024270
C 4.413139 0.033120 1.609228
C 1.232985 -2.674962 0.245641
C 2.319910 -1.837159 0.556303
C 8.210557 -0.648823 -0.539082
C 7.276800 1.476151 -1.493341
C -0.957328 -4.385887 -0.460190
H -3.824410 1.076084 -0.605445
H -4.564899 -0.050865 -2.521698
H -4.595891 -1.527416 -1.528641
H -6.931754 -0.625692 -2.708966
H -6.991841 -1.231834 -1.025201
H -6.723357 1.710423 -1.943203
H -7.915455 1.027162 -0.783980
H -4.908021 -1.282844 1.043318
H -4.213764 0.205898 1.757866
H -5.383198 3.162423 -0.341549
H -4.885365 2.446035 1.215215
H -2.685568 -1.961870 0.391196
H -7.807433 3.146613 0.434323
H -7.303162 2.383714 1.972421
H -6.765610 4.048295 1.569131
H 0.489655 0.940588 1.503905
H 5.069227 0.833616 1.961733
H 4.630543 -0.991830 1.923713
H 2.888523 1.366448 1.285828
H 1.446239 -3.677673 -0.133695
H 3.342802 -2.190164 0.368355
H 7.877767 -1.669811 -0.283075
H 8.553020 -0.117052 0.379322
H 9.074381 -0.737973 -1.225645
H 6.323880 1.873147 -1.884412
H 8.048201 1.616934 -2.274783
H 7.590055 2.054267 -0.592396
H -1.954775 -4.811484 -0.643033
H -0.418593 -5.000981 0.284015
H -0.386479 -4.346326 -1.406048


