%chk=000090127.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090127

0 1
 S   -2.571700     -0.2456000      -2.177900    
 S   -5.165100     -0.9139000      9.0300001E-02
 P    2.608000     -0.4344000     -0.6118000    
 P   -3.321700     -0.3036000     -0.1911000    
 O    3.834100      0.6354000     -0.5922000    
 O    2.157600     -0.4798000      0.9513000    
 O   -3.056000       1.169300      0.4675000    
 O   -2.245500      -1.149000      0.7044000    
 O    3.056100      -1.791500      -1.092200    
 N    1.386600      0.2840000      -1.472100    
 C   0.1028000     -0.3922000      -1.569800    
 C  -0.9617000      0.5856000      -2.051700    
 C    5.031900      0.2895000      8.2599998E-02
 C    1.877900      0.7195000       1.653800    
 C   -3.780100       2.299900      1.1200000E-02
 C   -2.086700      -2.543900      0.5060000    
 C    6.014100       1.435100     -3.7700001E-02
 C    1.487100      0.3783000       3.075900    
 C   -3.334000       3.518600      0.7907000    
 C   -1.033800      -3.061200       1.462700    
 H  -0.1544000     -0.7728000     -0.5804000    
 H   0.1935000      -1.247300      -2.248900    
 H  -0.7055000      0.9692000      -3.045200    
 H   -1.049000       1.443000      -1.376900    
 H    1.637500      0.6564000      -2.387600    
 H    5.452700     -0.6127000     -0.3720000    
 H    4.818000      8.3800003E-02   1.135500    
 H    2.759400       1.366500       1.656200    
 H    1.056800       1.247100       1.159000    
 H   -4.851400       2.141700      0.1625000    
 H   -3.593500       2.449600      -1.056100    
 H   -1.784600      -2.739300     -0.5268000    
 H   -3.034300      -3.055300      0.6964000    
 H    6.954000       1.198900      0.4689000    
 H    5.596300       2.347800      0.3999000    
 H    6.224700       1.653900      -1.089800    
 H    1.260300       1.283000       3.646800    
 H    2.294900     -0.1639000       3.578100    
 H   0.6091000     -0.2761000       3.087200    
 H   -3.505900       3.375000       1.862500    
 H   -2.259700       3.686700      0.6604000    
 H   -3.873300       4.411600      0.4629000    
 H  -7.6899998E-02  -2.556400       1.294500    
 H   -1.321600      -2.858400       2.499500    
 H  -0.8898000      -4.138300       1.340200    


%chk=000090127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090127

0 1
S -2.431473 -0.065760 -2.344290
S -5.162580 -1.025232 -0.111897
P 2.731293 -0.609166 -0.344456
P -3.228315 -0.316884 -0.197702
O 3.948632 0.630045 -0.417906
O 1.903508 -0.484893 1.170869
O -2.851608 1.209208 0.547799
O -1.975300 -1.151396 0.662588
O 3.245731 -2.100031 -0.536864
N 1.663702 0.118457 -1.493524
C 0.346202 -0.465119 -1.810398
C -0.713768 0.645438 -1.917693
C 5.347790 0.257523 -0.049277
C 1.447822 0.851884 1.664245
C -3.804824 2.335179 0.313388
C -1.948756 -2.648137 0.597786
C 6.237288 1.398891 -0.533133
C 0.394142 0.588027 2.736345
C -3.297746 3.495789 1.163628
C -0.873294 -3.092203 1.584825
H 0.065449 -1.147245 -0.989767
H 0.373708 -1.059668 -2.745146
H -0.494465 1.352786 -2.737064
H -0.807656 1.206675 -0.973751
H 2.101830 0.730021 -2.186005
H 5.604131 -0.705505 -0.529106
H 5.405124 0.133826 1.048891
H 2.329292 1.384731 2.067795
H 1.034025 1.432139 0.816780
H -4.819674 2.013299 0.614181
H -3.808951 2.583145 -0.766081
H -1.708621 -2.953861 -0.439477
H -2.950512 -3.033651 0.866145
H 7.289859 1.193531 -0.263404
H 5.937803 2.353128 -0.067012
H 6.172496 1.508270 -1.629072
H 0.066685 1.548233 3.178325
H 0.811654 -0.041244 3.541415
H -0.485053 0.085014 2.302224
H -3.279544 3.216854 2.230515
H -2.279438 3.793262 0.860123
H -3.967200 4.366996 1.039985
H 0.103787 -2.639377 1.345583
H -1.146699 -2.806927 2.614755
H -0.769274 -4.192255 1.541534


