%chk=000079751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079751

0 1
 S   1.4400000E-02   3.056700     -8.2999999E-03
 S    7.889500      -2.243100      0.5022000    
 S   -7.888600      -2.237300     -0.5100000    
 O   0.3251000       3.792300       1.209400    
 O  -0.3354000       3.782500      -1.222600    
 O    8.766500      -3.202500     -0.4829000    
 O   -8.780900      -3.193500      0.4646000    
 O    7.205400      -3.074100       1.475800    
 O    8.710200      -1.116800      0.9079000    
 O   -7.196400      -3.070900      -1.475600    
 O   -8.699900      -1.107700     -0.9249000    
 N    4.688500     -0.4096000      -1.102400    
 N   -4.707900     -0.4215000       1.123100    
 C    1.392000       2.034000     -0.3306000    
 C   -1.386700       2.023700      0.3272000    
 C    3.594500      0.4013000     -0.8463000    
 C   -3.592600      0.3997000      0.8558000    
 C    5.597700     -0.8747000     -8.2000002E-02
 C   -5.598400     -0.8783000      0.1016000    
 C    2.220700       1.629800      0.7160000    
 C   -2.216300       1.612900     -0.7162000    
 C    1.664500       1.622000      -1.635100    
 C   -1.660100       1.622600       1.634900    
 C    6.719800      -1.689500     -0.6994000    
 C   -6.730900      -1.688700      0.7055000    
 C    3.321800      0.8135000      0.4582000    
 C   -3.319100      0.8008000     -0.4519000    
 C    2.765700      0.8057000      -1.892900    
 C   -2.763000      0.8107000       1.899200    
 H    6.035200     -2.2900000E-02  0.4527000    
 H    5.061100      -1.490900      0.6494000    
 H   -5.059500      -1.497800     -0.6254000    
 H   -6.029300     -2.7100001E-02 -0.4397000    
 H    2.023600       1.931000       1.741000    
 H   -2.017600       1.905600      -1.743300    
 H    1.028800       1.920200      -2.464100    
 H   -1.023200       1.926300       2.460900    
 H    4.847400     -0.6951000      -2.062600    
 H   -4.862500     -0.6967000       2.086800    
 H    7.266100      -1.103700      -1.446600    
 H    6.311200      -2.578700      -1.192300    
 H   -7.284000      -1.101100       1.446400    
 H   -6.332100      -2.580000       1.202800    
 H    3.937700      0.5197000       1.302900    
 H   -3.935500      0.5012000      -1.294100    
 H    2.965800      0.4908000      -2.914000    
 H   -2.964400      0.5038000       2.922400    
 H    9.315300      -2.732800      -1.154200    
 H   -9.335600      -2.721700       1.129500    


%chk=000079751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079751

0 1
S -0.002349 2.303688 0.056954
S 7.783610 -0.959054 0.616161
S -7.820087 -0.906434 -0.610798
O 0.538615 3.042712 1.417935
O -0.550377 3.113216 -1.260430
O 8.583746 0.726958 0.670441
O -8.593033 0.792091 -0.553709
O 8.890852 -2.097399 0.303270
O 6.781650 -1.154699 1.876987
O -8.938534 -2.042997 -0.333465
O -6.851416 -1.048416 -1.904369
N 4.576645 -1.159178 -1.964048
N -4.560775 -1.290148 1.886775
C 1.398684 1.198785 -0.547438
C -1.394945 1.156247 0.598510
C 3.534310 -0.363171 -1.470003
C -3.522404 -0.464207 1.435306
C 5.674467 -1.662305 -1.148253
C -5.673672 -1.730597 1.055207
C 2.377612 0.785401 0.368902
C -2.379162 0.799166 -0.335541
C 1.462598 0.888969 -1.917686
C -1.448622 0.759962 1.946708
C 6.730688 -0.548674 -0.939824
C -6.723811 -0.598419 0.939813
C 3.451929 -0.002518 -0.090161
C -3.449645 -0.017595 0.080384
C 2.532990 0.103088 -2.375723
C -2.514643 -0.055274 2.361387
H 5.292715 -2.009828 -0.169342
H 6.132658 -2.532070 -1.647680
H -6.130377 -2.629460 1.501720
H -5.310300 -2.012957 0.048926
H 2.318829 1.100674 1.416057
H -2.326892 1.179166 -1.361353
H 0.705757 1.281075 -2.605088
H -0.688135 1.109675 2.652682
H 4.598020 -1.345615 -2.965929
H -4.574100 -1.537008 2.875702
H 6.280405 0.421436 -0.681091
H 7.468085 -0.447523 -1.749635
H -6.270577 0.381681 0.728110
H -7.439812 -0.539819 1.772717
H 4.213444 -0.322444 0.628427
H -4.215380 -0.293768 -0.651735
H 2.602719 -0.151788 -3.440168
H -2.576637 -0.376824 3.408125
H 9.234476 0.744848 1.429994
H -9.261222 0.861451 -1.294928


