%chk=000125113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125113

0 1
 S    3.904100      -2.784300      -2.159500    
 P    2.861300      -1.287400      -1.492300    
 P    3.238300       1.317700     -0.1416000    
 P    1.390600       1.562100       2.147900    
 O  -0.6940000      -1.276800      0.9628000    
 O   -1.855000      -4.034100       1.612000    
 O    1.768400      -1.613200     -0.3377000    
 O    3.695700     -3.9200000E-02 -0.8864000    
 O   -4.467800      0.3051000      0.8661000    
 O    1.934500     -0.5566000      -2.607000    
 O    2.311200      0.7866000       1.070100    
 O    2.163300       1.966100      -1.160700    
 O    4.348700       2.237100      0.2735000    
 O    2.460000       2.390300       3.032900    
 O   0.8984000      0.3894000       3.145000    
 O   0.2925000       2.385400       1.541800    
 N   -2.372000      7.9999998E-04 -5.0400000E-02
 N   -3.787200       1.861700     -0.6392000    
 N   -3.084700       3.452000      -2.183600    
 C   -1.436000      -3.451800      0.3797000    
 C  -0.2056000      -2.585000      0.6082000    
 C   -2.472000      -2.457700     -9.1899998E-02
 C   -2.098400      -1.202400      0.6795000    
 C   0.6574000      -2.440600     -0.6386000    
 C   -1.410100      0.4795000     -0.9247000    
 C   -3.591500      0.7061000      9.7800002E-02
 C   -1.579600       1.587700      -1.643200    
 C   -2.870200       2.301600      -1.460400    
 H   -1.263500      -4.267600     -0.3285000    
 H   0.4023000      -2.937300       1.448900    
 H   -3.505300      -2.758700      0.1076000    
 H   -2.369200      -2.302300      -1.172700    
 H   -2.622600      -1.180700       1.642100    
 H   0.1036000      -2.023200      -1.482600    
 H    1.026100      -3.427200     -0.9379000    
 H   -2.673100      -4.529600       1.436100    
 H  -0.4814000     -5.6400001E-02  -1.020500    
 H  -0.8312000       1.971600      -2.323500    
 H    1.392700      0.2160000      -2.340400    
 H   -3.950800       3.971600      -2.090500    
 H   -2.392600       3.818700      -2.828700    
 H    2.488400       2.443000      -1.953800    
 H    2.130600       3.029700       3.699800    
 H   0.2342000      0.6003000       3.835400    


%chk=000125113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125113

0 1
S 3.957581 -3.774682 -1.399572
P 3.436573 -1.819129 -1.189462
P 4.316284 0.802711 0.283699
P 1.538169 1.744587 1.401144
O -0.695264 -0.991449 0.675808
O -1.650651 -3.740134 1.755612
O 1.857778 -1.475710 -0.495235
O 4.356222 -0.900642 -0.002071
O -4.764613 -0.403550 0.691312
O 3.502308 -0.856245 -2.588324
O 3.088680 0.970488 1.530514
O 3.487505 1.333048 -1.129108
O 5.700974 1.430711 0.668457
O 1.589588 3.013557 2.514036
O 0.425346 0.718670 2.059149
O 1.362737 2.264912 -0.112194
N -2.646100 0.213975 -0.081332
N -4.581701 1.617766 -0.510703
N -4.346979 3.581786 -1.721089
C -1.395783 -3.278830 0.385699
C -0.145117 -2.380814 0.492230
C -2.499379 -2.327364 -0.121505
C -2.182973 -1.007249 0.604053
C 0.747895 -2.415524 -0.741734
C -1.827479 1.073075 -0.787080
C -4.090085 0.465331 0.060846
C -2.349067 2.211271 -1.368480
C -3.765157 2.455923 -1.192465
H -1.232935 -4.134763 -0.298855
H 0.426680 -2.623629 1.402972
H -3.518352 -2.665562 0.121007
H -2.427184 -2.188125 -1.215586
H -2.598143 -1.005883 1.626263
H 0.204828 -2.097879 -1.650964
H 1.142015 -3.443179 -0.881802
H -2.503931 -4.242113 1.787864
H -0.763974 0.832144 -0.844013
H -1.694203 2.901801 -1.901753
H 3.484414 0.138941 -2.342769
H -5.344231 3.721461 -1.563718
H -3.810065 4.273575 -2.237103
H 2.599229 1.872069 -0.916713
H 1.326739 2.772345 3.440021
H -0.029678 -0.069688 1.483841


