%chk=000054371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054371

0 1
 S   -2.833800       1.333200     -6.4599998E-02
 P   -1.913400     -0.3142000     -0.9812000    
 O   -1.322300      -1.352400      0.1166000    
 O  -0.8487000      0.1419000      -1.943600    
 O    1.737200     -0.5983000     -0.1655000    
 O  -0.2958000       3.165200     -0.2538000    
 O    3.754800      0.4177000     -0.6027000    
 N   0.6931000       1.477700       1.001700    
 C   -1.680300       1.870100       1.213800    
 C   -3.173100      -1.266000      -1.831000    
 C   -2.158200      -1.918100       1.109900    
 C  -0.3706000       2.249600      0.5640000    
 C    2.048800       1.663200      0.5364000    
 C   -1.333200      -2.840000       1.982300    
 C    2.619000      0.4385000     -0.1395000    
 C    2.205300      -1.797200     -0.7923000    
 C    2.871000      -2.670800      0.2494000    
 H   -1.555100       1.076000       1.954100    
 H   -2.080400       2.749700       1.726900    
 H   -3.999700      -1.525900      -1.164900    
 H   -3.581900     -0.6856000      -2.663200    
 H   -2.744600      -2.188000      -2.233800    
 H   -2.602300      -1.127200       1.719600    
 H   -2.960200      -2.490100      0.6360000    
 H    2.658300       1.881500       1.418100    
 H    2.095300       2.500500     -0.1654000    
 H   0.5300000      0.7397000       1.680300    
 H  -0.8751000      -3.632300       1.380900    
 H  -0.5147000      -2.288800       2.457400    
 H   -1.949500      -3.298200       2.760700    
 H    2.876600      -1.584700      -1.631900    
 H    1.329200      -2.310600      -1.201700    
 H    3.746500      -2.173100      0.6786000    
 H    2.183700      -2.875800       1.077100    
 H    3.189300      -3.621700     -0.1872000    


%chk=000054371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054371

0 1
S -2.292846 0.509956 -0.273922
P -1.369664 -1.308950 0.822583
O -2.699229 -2.324045 1.265695
O -0.431150 -0.808351 2.033502
O 2.053601 -0.041214 -1.182966
O 0.178290 3.214762 -0.400249
O 4.138958 0.969842 -0.930556
N 0.930882 1.415017 0.888082
C -1.476448 1.861996 0.802558
C -0.561697 -2.367075 -0.459828
C -3.656926 -1.844481 2.307466
C -0.056554 2.226045 0.360350
C 2.330370 1.651129 0.573626
C -4.730960 -2.920661 2.428913
C 2.946251 0.839434 -0.573582
C 2.594616 -0.791489 -2.366461
C 3.329287 -2.060617 -1.926675
H -1.507339 1.511088 1.847140
H -2.129763 2.736601 0.665754
H -1.292795 -2.611908 -1.244306
H 0.273966 -1.785914 -0.877428
H -0.196083 -3.288504 0.020188
H -3.106738 -1.699976 3.255644
H -4.080070 -0.875586 1.976383
H 2.963363 1.475966 1.462665
H 2.447393 2.713015 0.286841
H 0.646650 0.594764 1.455120
H -5.253987 -3.061998 1.468138
H -4.286533 -3.883285 2.732949
H -5.473378 -2.622010 3.191773
H 3.264420 -0.116194 -2.926173
H 1.694666 -1.009814 -2.964137
H 4.230018 -1.807880 -1.343547
H 2.678943 -2.711241 -1.315576
H 3.645688 -2.632922 -2.818463


