%chk=000110522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110522

0 1
 S   -8.738800     -0.1441000     -0.3821000    
 O   -2.547100      0.9635000       2.133600    
 O   -9.212800       1.415500     -0.2545000    
 O   -9.098200     -0.5886000      -1.720900    
 O   -9.219000     -0.8590000      0.7903000    
 N    5.748900     -7.5499997E-02 -7.4000001E-02
 N   -2.820800     -1.0700000E-02 -2.3200000E-02
 N   -1.986700     -0.4743000      -1.038200    
 N    8.181100       3.970900      -1.199300    
 N    7.350400      -4.656500     -0.1238000    
 C    4.401000      0.1012000      0.3015000    
 C    6.444500      0.9556000     -0.8183000    
 C    6.451900      -1.296100      0.2671000    
 C    1.755500      0.4473000       1.037600    
 C  -0.7196000      0.3057000      0.6999000    
 C    3.732600       1.279200     -3.1900000E-02
 C    3.735800     -0.9024000       1.006000    
 C   0.3441000      0.6321000       1.430100    
 C  -0.7594000     -0.2985000     -0.6317000    
 C    2.399400       1.453800      0.3391000    
 C    2.402500     -0.7279000       1.376900    
 C   -2.130000      0.4910000       1.093800    
 C    6.921400       2.067900      0.1096000    
 C    6.105600      -2.414300     -0.7103000    
 C   -4.204100     -4.1099999E-02 -0.1070000    
 C   -4.978600     -0.1763000       1.050300    
 C   -4.838900      6.2199999E-02  -1.349900    
 C   0.4503000     -0.6629000      -1.422000    
 C   -6.996800     -0.1043000     -0.2761000    
 C   -6.370700     -0.2078000      0.9660000    
 C   -6.230900      3.0700000E-02  -1.434100    
 C    7.625300       3.131000     -0.6231000    
 C    6.801900      -3.667100     -0.3815000    
 H    5.843200       1.340300      -1.651800    
 H    7.322500      0.5191000      -1.315500    
 H    7.535900      -1.118600      0.2209000    
 H    6.286100      -1.591400       1.310900    
 H    4.188700       2.094000     -0.5828000    
 H    4.197900      -1.838300       1.299600    
 H   0.2101000       1.077500       2.413300    
 H    1.887900       2.375100      7.3399998E-02
 H    1.894000      -1.515700       1.926400    
 H    6.092900       2.514300      0.6689000    
 H    7.598200       1.646200      0.8635000    
 H    5.028300      -2.607100     -0.7405000    
 H    6.383600      -2.107700      -1.726600    
 H   -4.537100     -0.3035000       2.033700    
 H   -4.263800      0.1762000      -2.265500    
 H    1.046400      -1.413700     -0.9024000    
 H    1.036000      0.2230000      -1.669200    
 H   0.1295000      -1.109200      -2.369700    
 H   -6.946400     -0.3157000       1.880900    
 H   -6.697100      0.1216000      -2.411000    
 H   -8.887800       2.015700     -0.9663000    


%chk=000110522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000110522

0 1
S -9.112039 -0.043044 0.006308
O -2.298682 -1.071229 1.616527
O -9.332523 1.505486 1.020043
O -9.752068 0.217091 -1.457561
O -9.601448 -1.300063 0.902341
N 6.093573 -0.252069 0.161384
N -3.069345 0.138306 -0.311993
N -2.473426 0.816980 -1.414803
N 8.155439 3.210500 -2.671344
N 8.652311 -3.602726 2.709035
C 4.695143 -0.283107 0.246185
C 6.782260 0.447457 -0.934972
C 6.938112 -0.917440 1.166865
C 1.796784 -0.348786 0.404313
C -0.777056 -0.029936 -0.071400
C 3.872747 0.395150 -0.714160
C 4.023866 -0.990520 1.296459
C 0.363271 -0.459576 0.592393
C -1.142821 0.722728 -1.278642
C 2.476842 0.356806 -0.636009
C 2.627392 -1.011331 1.365536
C -2.090309 -0.411595 0.556553
C 6.928125 1.979816 -0.652586
C 7.109258 -2.444572 0.872187
C -4.482347 0.092653 -0.220873
C -5.113743 -0.582850 0.861979
C -5.258984 0.724938 -1.231212
C -0.299735 1.367638 -2.343972
C -7.254959 0.021488 -0.076718
C -6.518855 -0.614844 0.935881
C -6.662495 0.693912 -1.159027
C 7.604825 2.675001 -1.758244
C 7.958976 -3.099843 1.878369
H 6.252775 0.293038 -1.891112
H 7.788250 0.010595 -1.058996
H 7.933653 -0.440789 1.165814
H 6.523544 -0.776703 2.180102
H 4.325916 0.961242 -1.532743
H 4.588571 -1.525246 2.064902
H 0.087623 -1.035048 1.494672
H 1.905759 0.893754 -1.392607
H 2.148551 -1.561283 2.184548
H 5.930664 2.429569 -0.494562
H 7.503053 2.133845 0.279688
H 6.120185 -2.937843 0.852050
H 7.559785 -2.582791 -0.128536
H -4.504016 -1.067271 1.627058
H -4.750087 1.231016 -2.053239
H 0.356300 0.633188 -2.846266
H 0.328992 2.179453 -1.933702
H -0.966750 1.806734 -3.103441
H -7.027560 -1.136049 1.752471
H -7.280752 1.164700 -1.929328
H -10.313745 1.605766 1.194485


