%chk=000094457.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094457

0 1
 S  -4.4900000E-02   1.268000      0.9877000    
 S    3.712100      0.9437000      -1.877200    
 O   -1.982700      -2.547700     -0.8283000    
 O   -3.702800      0.1177000      -2.064700    
 O    2.514200      -2.104900       1.530300    
 O   -5.052900     -0.4888000     -0.3213000    
 N   -1.916600     -0.4994000      0.3381000    
 N   0.9818000      -1.421500     -7.2800003E-02
 C  -0.8775000     -0.2988000       1.331500    
 C  -0.2149000      -1.569200      0.7549000    
 C   -1.525000      -1.726400     -6.8700001E-02
 C   -2.887100      0.4108000      6.6500001E-02
 C   -1.565700       2.252400       1.208400    
 C   -2.792000       1.693600      0.4903000    
 C    2.262900      -1.706600      0.3940000    
 C   -3.862900       2.740800      0.2997000    
 C   -4.013400     -4.2500000E-02 -0.7632000    
 C    3.348200      -1.497300     -0.6429000    
 C    3.865300     -8.9800000E-02 -0.5352000    
 C    4.467300      0.4968000      0.5375000    
 C    4.820200       1.848400      0.2568000    
 C    4.466500       2.220700      -1.021400    
 H   -1.240600     -0.4153000       2.359500    
 H  -0.1058000      -2.373300       1.493500    
 H   0.8915000      -1.085700      -1.028900    
 H   -1.339000       3.254100      0.8281000    
 H   -1.780200       2.341900       2.279000    
 H   -4.148900       3.165400       1.267800    
 H   -3.491800       3.549200     -0.3388000    
 H   -4.772000       2.346300     -0.1622000    
 H    2.959300      -1.728300      -1.641200    
 H    4.158300      -2.208700     -0.4438000    
 H   -4.429500     -0.1730000      -2.656200    
 H    4.655800      3.9999999E-04   1.480700    
 H    5.309000       2.513600      0.9566000    
 H    4.614900       3.181600      -1.493600    


%chk=000094457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094457

0 1
S -0.283958 1.053910 1.848539
S 4.354353 -0.571349 -2.044263
O -0.845248 -0.991734 -2.113717
O -4.394586 1.448133 -1.778869
O 2.053286 -3.135007 1.242789
O -4.024545 -0.841133 -1.675390
N -1.831058 -0.355618 0.033656
N 1.380736 -1.122409 0.280859
C -0.998165 -0.588805 1.225561
C -0.023254 -1.443637 0.325888
C -0.908135 -0.956103 -0.877710
C -2.864126 0.604286 -0.096766
C -2.009253 1.839572 1.969262
C -2.982645 1.632204 0.813874
C 2.342565 -2.013548 0.734321
C -4.113137 2.641519 0.836191
C -3.796072 0.304210 -1.227814
C 3.808889 -1.534365 0.621567
C 4.069870 -0.348982 -0.267317
C 4.121862 1.000949 0.063683
C 4.379143 1.875742 -1.056147
C 4.528961 1.200422 -2.255958
H -1.510213 -1.098961 2.054630
H -0.117559 -2.523128 0.538139
H 1.692107 -0.239721 -0.135465
H -1.814235 2.920716 2.087346
H -2.470527 1.487409 2.911656
H -4.421649 2.844974 1.879783
H -3.774514 3.602870 0.402595
H -4.988400 2.316954 0.257933
H 4.393068 -2.419544 0.314594
H 4.136257 -1.298537 1.652428
H -4.976592 1.157884 -2.533411
H 3.988573 1.359116 1.088611
H 4.452314 2.962383 -0.970745
H 4.726987 1.597527 -3.249833


