%chk=000005431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005431

0 1
 S   -1.024400      -2.616000       1.675700    
 P   -4.014800      0.7585000      0.2893000    
 P   -1.538500       2.224100     -0.3592000    
 O   -3.290800     -0.6883000      0.2520000    
 O   -3.066300       1.710800     -0.6110000    
 O   -5.333600      0.5735000     -0.6295000    
 O   -4.288700       1.289800       1.666400    
 O   -1.352600       3.117200      -1.713400    
 O  -0.5995000       1.040800     -0.4319000    
 O   -1.524900       3.153200      0.8345000    
 N    1.167500      -2.266300      0.5108000    
 N    3.989800       1.311400     -0.6351000    
 N    2.598500       1.543700       1.318800    
 N    4.282500     -0.8129000      -1.647900    
 C   0.2438000      -2.329200     -0.5087000    
 C   -1.005200      -2.519200     -2.4700001E-02
 C    2.581100      -2.070200      0.2945000    
 C   -2.305300      -2.646100     -0.7829000    
 C   0.6718000      -2.398600       1.722100    
 C    2.894000     -0.5989000      0.2972000    
 C   -2.980700      -1.293400     -0.9916000    
 C   0.7211000      -2.190700      -1.892400    
 C    3.707000     -7.8999996E-03 -0.6340000    
 C    2.358400      0.2173000       1.259900    
 C    3.410600       2.017400      0.3546000    
 C    3.699600       3.479900      0.3865000    
 H    3.145700      -2.544900       1.108700    
 H    2.889000      -2.595900     -0.6118000    
 H   -2.124500      -3.120700      -1.754100    
 H   -2.984800      -3.309600     -0.2326000    
 H    1.256300      -2.389600       2.632100    
 H   -3.908300      -1.439800      -1.554600    
 H   -2.334500     -0.6290000      -1.573200    
 H    1.257200      -1.250000      -2.043400    
 H    1.368800      -3.026000      -2.175700    
 H  -0.1137000      -2.185200      -2.601100    
 H    1.726300     -0.1293000       2.065300    
 H    4.850800     -0.3216000      -2.328300    
 H    4.584000      -1.748000      -1.403500    
 H    4.404600       3.764100     -0.4010000    
 H    2.774400       4.045900      0.2414000    
 H    4.134300       3.755600       1.352100    
 H   -6.123800      0.1400000     -0.2426000    
 H   -1.171800       2.651800      -2.557700    


%chk=000005431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005431

0 1
S -1.587175 -2.573977 1.332972
P -4.304903 0.085158 0.649527
P -1.291794 1.312442 0.323407
O -3.796187 -1.365662 -0.167089
O -3.129783 1.232024 0.311245
O -5.586068 0.661608 -0.361913
O -4.742972 -0.251351 2.132274
O -1.232343 3.003209 0.649294
O -0.866328 0.929839 -1.181088
O -0.712749 0.512855 1.584935
N 0.855413 -1.942058 0.752643
N 4.339120 0.962611 -0.999479
N 2.764864 2.115366 0.448622
N 4.548646 -1.344368 -1.076700
C 0.227579 -2.029773 -0.517441
C -1.107368 -2.389044 -0.405714
C 2.318382 -1.648898 0.968718
C -2.147448 -2.529694 -1.478833
C 0.041102 -2.181366 1.801107
C 2.827641 -0.332594 0.418085
C -3.140255 -1.341948 -1.492909
C 0.941463 -1.653552 -1.782225
C 3.893367 -0.249922 -0.532620
C 2.312680 0.903913 0.880536
C 3.759022 2.091157 -0.500391
C 4.236786 3.420724 -1.021586
H 2.462138 -1.686825 2.063016
H 2.865743 -2.509331 0.543929
H -1.655467 -2.581051 -2.467092
H -2.720534 -3.465794 -1.344078
H 0.346878 -2.067088 2.836367
H -3.911449 -1.501825 -2.266899
H -2.599625 -0.391323 -1.663138
H 0.830889 -0.559834 -1.918054
H 2.011853 -1.917332 -1.779273
H 0.471484 -2.148607 -2.647049
H 1.474537 0.925456 1.590751
H 5.297599 -1.132508 -1.735456
H 4.473112 -2.286193 -0.705820
H 5.063995 3.283861 -1.733388
H 3.403187 3.949445 -1.517850
H 4.562021 4.061503 -0.183126
H -6.443531 0.749181 0.128116
H -1.723122 3.549267 -0.016334


