%chk=000129324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129324

0 1
 S    2.392600      -2.303200     -0.5309000    
 P    4.017500      1.3600000E-02 -7.3000002E-03
 O   2.5900001E-02   1.426400     -0.9528000    
 O   0.2270000       3.885700       1.658900    
 O   -1.363500       4.285600     -0.5188000    
 O    2.755500      0.9392000     -0.4164000    
 O    4.646600      0.7851000       1.268900    
 O    5.002400     -0.2648000      -1.104500    
 O    1.705500      -3.409300      0.4499000    
 O    1.351100      -1.446400      -1.059000    
 O    3.343000      -2.977200      -1.391300    
 N   -2.256700      0.8001000     -0.7737000    
 N   -4.100500     -0.4408000     -0.9696000    
 N  -0.9647000     -0.6108000      0.7236000    
 N   -2.189400      -2.638700       1.310200    
 N   -4.382000      -3.103500      0.4713000    
 C  -0.2347000       2.739100      0.9773000    
 C   -1.444800       3.003200      0.1010000    
 C   0.7823000       2.220900     -2.4599999E-02
 C   -1.331700       1.917500     -0.9705000    
 C    1.875000       1.375300      0.6045000    
 C   -2.050000     -0.3118000     -5.9000002E-03
 C   -3.503000      0.6754000      -1.331100    
 C   -3.203600      -1.067600     -0.1414000    
 C    3.279100      -1.423100      0.7316000    
 C   -3.251100      -2.272600      0.5524000    
 C   -1.127900      -1.797400       1.348200    
 H  -0.4850000       1.966900       1.714200    
 H   -2.379500       2.979400      0.6704000    
 H    1.239900       3.041600     -0.5921000    
 H   -1.523500       2.305400      -1.977900    
 H    1.434000      0.5116000       1.102800    
 H    2.430400       1.965200       1.339500    
 H    1.019700       3.632700       2.161200    
 H   -2.141500       4.378900      -1.095000    
 H   -3.919700       1.427000      -1.987700    
 H    2.589800      -1.190300       1.544600    
 H    4.051300      -2.094300       1.118600    
 H  -0.2997000      -2.117600       1.971000    
 H    5.155000       1.610600       1.120000    
 H   -5.175100      -2.833000     -9.4300002E-02
 H   -4.392200      -3.974600      0.9841000    
 H    2.320200      -4.080500      0.8295000    


%chk=000129324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129324

0 1
S 1.841602 -2.227105 -0.906205
P 3.999642 -0.031038 0.001739
O 0.062197 1.919757 -1.275322
O 0.114130 4.338000 1.311980
O -1.770511 4.352888 -0.552320
O 2.708698 1.029220 -0.402734
O 4.333130 0.264870 1.691155
O 5.234855 0.072312 -0.981879
O 1.959552 -4.004270 -0.344777
O 0.449191 -1.601514 -0.368647
O 2.257915 -2.113117 -2.454810
N -1.998067 0.690634 -0.853469
N -2.976623 -1.309122 -1.438634
N -1.564845 0.209638 1.563825
N -2.333415 -2.036264 2.206077
N -3.353037 -3.524030 0.678041
C -0.294947 2.983597 0.896592
C -1.614373 3.038479 0.056111
C 0.776147 2.436706 -0.083245
C -1.389907 2.014343 -1.081647
C 1.614542 1.338752 0.564302
C -2.021286 -0.091746 0.310420
C -2.570306 -0.104151 -1.866328
C -2.636692 -1.312453 -0.074286
C 3.273042 -1.746893 0.274889
C -2.782954 -2.306643 0.934205
C -1.762510 -0.819346 2.443356
H -0.445799 2.309796 1.756884
H -2.505532 2.796826 0.663159
H 1.431354 3.257813 -0.425013
H -1.816399 2.406735 -2.019306
H 1.000983 0.437592 0.743169
H 2.058815 1.704994 1.509211
H -0.238155 4.532972 2.215923
H -1.105924 4.951660 -0.104988
H -2.654746 0.257029 -2.889434
H 2.830291 -1.824783 1.277590
H 4.046055 -2.509845 0.101456
H -1.421301 -0.649102 3.469342
H 5.128637 0.834551 1.853176
H -3.702882 -3.730943 -0.255258
H -3.447383 -4.195929 1.436717
H 1.210815 -4.511970 -0.772116


