%chk=000112373.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112373

0 1
 S   -1.378500      -2.676700      6.5399997E-02
 O   -1.792600      -2.923800      -1.495300    
 O  -0.4689000      -3.747000      0.4411000    
 O   -2.592600      -2.428900      0.8243000    
 O   -2.835100       2.429000     -0.7263000    
 O    3.670000       2.151100      0.4059000    
 O   -5.053000       1.239500       1.447700    
 O    5.694500      0.2910000      -1.465600    
 N   -2.463300      0.1239000     -0.4330000    
 N    3.024500     -0.1020000      0.5647000    
 C  -0.4704000      -1.179000      6.3100003E-02
 C   -1.090800      4.6100002E-02 -0.1820000    
 C    1.632400     -5.2499998E-02  0.3121000    
 C   0.9013000      -1.228600      0.3118000    
 C  -0.3396000       1.221400     -0.1783000    
 C    1.032000       1.171800      7.0699997E-02
 C   -3.229200       1.266100     -0.6937000    
 C   -4.695900      0.9511000     -0.9182000    
 C    3.913600      0.9637000      0.6052000    
 C    5.331100      0.5158000      0.9062000    
 C   -5.538300       1.028300      0.3372000    
 C    6.161900      0.2403000     -0.3289000    
 C   -7.019100      0.8172000      0.1613000    
 C    7.606200     -0.1178000     -9.5600002E-02
 H    1.406700      -2.170900      0.5025000    
 H  -0.7381000       2.208800     -0.3597000    
 H    1.543600       2.122600      5.8400001E-02
 H   -2.967900     -0.7577000     -0.4277000    
 H    3.399100      -1.033200      0.7323000    
 H   -4.803600     -5.0799999E-02  -1.347500    
 H   -5.085200       1.672600      -1.645100    
 H    5.816900       1.311200       1.482500    
 H    5.319000     -0.3876000       1.525500    
 H   -1.038300      -3.033000      -2.121000    
 H   -7.420500       1.579100     -0.5114000    
 H   -7.521300      0.9010000       1.129100    
 H   -7.200600     -0.1802000     -0.2464000    
 H    8.108400      0.7035000      0.4215000    
 H    8.103700     -0.2879000      -1.054400    
 H    7.664900      -1.031700      0.5005000    


%chk=000112373-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112373

0 1
S -0.945971 -2.882712 -0.874194
O -0.777494 -2.649716 -2.705377
O 0.073219 -4.040885 -0.402198
O -2.538774 -3.029401 -0.544808
O -3.314441 2.018446 -0.503850
O 3.373365 2.445959 0.869831
O -6.180933 -0.355441 1.272616
O 5.266918 -1.331821 0.141720
N -2.610963 -0.229525 -0.489986
N 3.018697 0.157284 0.433465
C -0.334321 -1.187709 -0.383515
C -1.220048 -0.074785 -0.295672
C 1.624022 0.127924 0.187927
C 1.046630 -1.118878 -0.153490
C -0.601777 1.167874 0.028978
C 0.779171 1.271144 0.259157
C -3.569453 0.779304 -0.582599
C -5.002270 0.255860 -0.771349
C 3.797961 1.258167 0.752063
C 5.290379 0.957855 1.020536
C -5.871064 0.564347 0.474675
C 5.937429 -0.293302 0.420964
C -6.302734 2.007048 0.651765
C 7.433266 -0.237967 0.189270
H 1.654211 -2.027998 -0.229606
H -1.238887 2.052096 0.087044
H 1.222038 2.238084 0.505187
H -2.946275 -1.209242 -0.540570
H 3.554207 -0.727382 0.327751
H -5.027387 -0.831356 -0.951453
H -5.424621 0.785851 -1.644156
H 5.856234 1.860126 0.731179
H 5.406141 0.880805 2.123715
H -1.027694 -3.514452 -3.145911
H -5.443439 2.681611 0.482782
H -6.735886 2.160924 1.651773
H -7.062404 2.261075 -0.113572
H 7.646022 0.410019 -0.683674
H 7.829057 -1.244942 -0.011400
H 7.954868 0.211511 1.053882


