%chk=000005110.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005110

0 1
 S   -3.090500      -1.752300      -1.535200    
 S   -1.991900      0.9505000      -1.639400    
 O   -1.654000      -1.419900       1.661700    
 O   -4.143800      -2.447700     -0.8215000    
 O   -3.176100      -1.516000      -2.963100    
 N   0.3904000      -2.529200       1.305700    
 N   -1.584100      -2.490100      -1.177400    
 N   -3.811900       2.655100       1.346700    
 N    5.557200       1.088200      -1.311100    
 N    5.608200      -1.157500     -0.6056000    
 C   -1.464100      -3.247400      8.0499999E-02
 C  -0.3613000      -4.296600     -5.7000001E-03
 C   0.8931000      -3.558000      0.4256000    
 C  -0.9694000      -2.280100       1.126900    
 C    1.277400      -1.756900       2.148400    
 C    1.916500     -0.6197000       1.396600    
 C   -3.048200     -0.1021000     -0.8363000    
 C    3.126900     -0.8232000      0.7492000    
 C    1.287100      0.6146000       1.363900    
 C    3.729500      0.2336000      4.7100000E-02
 C    3.101400       1.495400      4.4999998E-03
 C    1.877000       1.672100      0.6693000    
 C   -3.700600      0.4549000      0.2091000    
 C   -3.330300       1.822600      0.3825000    
 C   -2.393800       2.232900     -0.5674000    
 C    4.945500      9.6100003E-02 -0.6254000    
 C    3.718200       2.535800     -0.7002000    
 C   -1.911300       3.549000     -0.5542000    
 C    4.926900       2.281900      -1.330300    
 C   -2.398900       4.402500      0.4268000    
 C   -3.325100       3.912000       1.328200    
 H   -2.402700      -3.716400      0.3827000    
 H  -0.2572000      -4.753900     -0.9944000    
 H  -0.5696000      -5.097700      0.7150000    
 H    1.595100      -4.210800      0.9519000    
 H    1.390700      -3.081900     -0.4253000    
 H    2.032200      -2.424500       2.580200    
 H   0.6958000      -1.356000       2.987800    
 H  -0.7316000      -2.006100      -1.487900    
 H    3.587600      -1.805200      0.8105000    
 H   0.3387000      0.7756000       1.868900    
 H    1.371300       2.635200      0.6505000    
 H   -4.411600     -6.9899999E-02  0.8343000    
 H    3.271600       3.523500     -0.7605000    
 H   -1.182300       3.893600      -1.280300    
 H    5.435700       3.062700      -1.886300    
 H   -2.059100       5.430800      0.4836000    
 H    6.500200      -1.188800      -1.086000    
 H    5.047500      -1.999300     -0.6460000    
 H   -3.721200       4.560200       2.105000    


%chk=000005110-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005110

0 1
S -4.037965 -1.572660 -0.942370
S -6.166779 0.745725 -1.041799
O -0.950815 -0.072908 1.035358
O -4.061477 -2.665055 0.269702
O -4.860916 -1.870018 -2.303093
N 0.759246 -1.649114 0.606910
N -2.213006 -1.296793 -1.359458
N -4.418534 3.055164 1.757685
N 7.860294 -0.741290 -0.148673
N 7.022933 -2.212803 1.433087
C -1.298405 -2.042089 -0.482012
C -0.194316 -2.828931 -1.235239
C 0.982256 -2.861565 -0.219030
C -0.506938 -1.125219 0.480011
C 1.775275 -1.098641 1.520850
C 3.008450 -0.587975 0.785719
C -4.610274 0.103802 -0.363180
C 4.275107 -1.139863 1.014779
C 2.873969 0.479650 -0.161855
C 5.433899 -0.662393 0.326250
C 5.289844 0.408031 -0.634281
C 3.984619 0.962554 -0.851819
C -4.010321 0.876582 0.601225
C -4.776085 2.084033 0.856570
C -5.971075 2.169633 0.062879
C 6.775532 -1.195549 0.528231
C 6.452070 0.874075 -1.332858
C -6.830472 3.279088 0.190336
C 7.682818 0.274778 -1.061390
C -6.456792 4.270565 1.121310
C -5.256198 4.117293 1.872894
H -1.912236 -2.729991 0.143326
H 0.091882 -2.273813 -2.144454
H -0.523709 -3.836424 -1.532228
H 0.951788 -3.769009 0.417356
H 1.970612 -2.811924 -0.707730
H 2.062338 -1.874170 2.258314
H 1.272414 -0.277570 2.066501
H -2.067937 -0.269463 -1.335992
H 4.359614 -1.958235 1.741954
H 1.883184 0.917659 -0.331331
H 3.875145 1.781200 -1.572474
H -3.061565 0.638814 1.095457
H 6.371761 1.682728 -2.065170
H -7.746928 3.374317 -0.399865
H 8.594638 0.596886 -1.575868
H -7.081341 5.156458 1.270760
H 7.987234 -2.527439 1.520372
H 6.306516 -2.610011 2.030653
H -4.958254 4.883480 2.597281


