%chk=000038833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038833

1 1
 S   -2.394800       1.424600      0.8710000    
 P   -3.676400      0.3787000     -0.4193000    
 O   -3.305100      -1.199600     -0.4762000    
 O   -3.669300       1.000400      -1.790900    
 N    1.606400       1.989700      0.2230000    
 C   0.2917000       2.067800      0.9053000    
 C    2.149300      0.5472000      8.0200002E-02
 C    1.490000       2.573600      -1.197500    
 C    2.652600       2.792100       1.019600    
 C  -0.7706000       1.348600      9.0400003E-02
 C    2.954000      0.3151000     -0.9745000    
 C    1.762400     -0.3310000       1.025300    
 C    3.443100     -0.9849000      -1.103200    
 C    2.251500      -1.630900      0.8968000    
 C    3.091900      -1.957900     -0.1675000    
 C    3.614700      -3.347400     -0.3050000    
 C   -5.326900      0.4020000      0.2809000    
 C   -3.268700      -1.983400      0.7029000    
 C   -2.895900      -3.404700      0.3387000    
 H   0.3720000       1.716200       1.939500    
 H   3.3100002E-02   3.134000      0.9765000    
 H   0.8688000       3.474700      -1.136300    
 H    2.476100       2.895500      -1.548200    
 H    1.026500       1.853500      -1.879700    
 H    3.616700       2.731800      0.5052000    
 H    2.314600       3.831800       1.065600    
 H    2.722600       2.368000       2.026100    
 H  -0.9072000       1.806700     -0.8925000    
 H  -0.5482000      0.2917000     -7.1699999E-02
 H    3.290900       1.035000      -1.706300    
 H    1.139000     -0.1219000       1.882100    
 H    4.102600      -1.226600      -1.932700    
 H    1.974400      -2.379800       1.634200    
 H   -5.332600      3.9099999E-02   1.311900    
 H   -5.717600       1.423800      0.2823000    
 H   -6.000200     -0.2217000     -0.3136000    
 H    2.927200      -3.949500     -0.9072000    
 H    4.599300      -3.353800     -0.7848000    
 H    3.733000      -3.823800      0.6742000    
 H   -2.529900      -1.571600       1.396100    
 H   -4.250100      -1.976300       1.184100    
 H   -2.859300      -4.039500       1.228500    
 H   -3.620700      -3.825300     -0.3662000    
 H   -1.918800      -3.432100     -0.1550000    


%chk=000038833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038833

1 1
S -1.992370 -0.233398 2.229084
P -3.353121 0.807360 0.618873
O -3.796447 -0.466408 -0.467069
O -2.538245 1.925856 -0.188916
N 1.142246 1.324528 -0.160364
C 0.143726 1.113985 1.020877
C 2.306142 0.341091 -0.099476
C 0.352376 1.244399 -1.473640
C 1.691271 2.755083 -0.043971
C -0.493604 -0.282324 1.054559
C 2.724078 -0.364873 -1.246047
C 3.003235 0.193261 1.121452
C 3.835734 -1.232151 -1.158287
C 4.108707 -0.677918 1.190024
C 4.546166 -1.411466 0.055109
C 5.720612 -2.363777 0.144755
C -4.857149 1.380665 1.547186
C -4.540251 -1.674622 0.022228
C -4.636495 -2.623826 -1.166593
H 0.686931 1.317788 1.956393
H -0.635463 1.879592 0.870923
H -0.591550 1.797400 -1.338559
H 0.957521 1.679358 -2.282429
H 0.117676 0.196758 -1.704271
H 2.418538 2.917873 -0.853081
H 0.852011 3.462536 -0.130147
H 2.190532 2.873011 0.928299
H -0.866172 -0.610298 0.071889
H 0.176525 -1.055958 1.459772
H 2.219044 -0.258897 -2.208983
H 2.710848 0.740867 2.023475
H 4.154416 -1.774842 -2.054849
H 4.641624 -0.785996 2.140888
H -5.294538 0.553146 2.126673
H -4.560599 2.192670 2.228776
H -5.589560 1.760909 0.816448
H 5.382923 -3.374487 0.444149
H 6.237403 -2.465863 -0.824230
H 6.458103 -2.031202 0.894622
H -3.979313 -2.121269 0.866378
H -5.544084 -1.361193 0.368928
H -5.196963 -3.529840 -0.871950
H -5.165906 -2.146499 -2.007473
H -3.634461 -2.931130 -1.509327


