%chk=000032044.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032044

0 1
 S   -1.357500      0.3552000       1.121500    
 S   -4.467800      -1.027800       1.997500    
 P   -3.266800     -0.4055000      0.5762000    
 O    3.268400      -2.026400      0.2077000    
 O    5.204700     -0.9758000      0.7058000    
 O    1.118400       2.339200     -5.2400000E-02
 O   -3.971000      0.7159000     -0.3834000    
 O   -3.017900      -1.552700     -0.5623000    
 N    1.851600      0.1352000      1.6400000E-02
 C    3.241000      0.4071000      0.3212000    
 C    3.878800       1.232200     -0.8181000    
 C    3.331300       1.115400       1.677200    
 C    4.010000     -0.9144000      0.4323000    
 C    3.847900      0.5627000      -2.187600    
 C   0.9051000       1.131500     -0.1450000    
 C  -0.4735000      0.5887000     -0.4392000    
 C   -4.394200       1.957100      0.1560000    
 C   -2.402800      -2.783000     -0.2179000    
 C   -5.005400       2.792200     -0.9488000    
 C   -2.300200      -3.646800      -1.456900    
 H    4.930000       1.433000     -0.5705000    
 H    3.406700       2.217000     -0.9038000    
 H    2.877200       2.110800       1.664100    
 H    4.375100       1.245600       1.986100    
 H    2.832000      0.5326000       2.460500    
 H    1.559600     -0.8343000     -6.9600001E-02
 H    4.393500     -0.3854000      -2.188300    
 H    2.822600      0.3726000      -2.519100    
 H    4.320300       1.214700      -2.929900    
 H  -0.4106000     -0.3596000     -0.9806000    
 H   -1.011700       1.304000      -1.068200    
 H    3.801900      -2.845500      0.2903000    
 H   -3.536400       2.480000      0.5887000    
 H   -5.136700       1.788100      0.9407000    
 H   -3.000500      -3.299100      0.5385000    
 H   -1.405700      -2.594100      0.1900000    
 H   -4.278500       2.962600      -1.749900    
 H   -5.858200       2.272600      -1.398200    
 H   -5.342800       3.759700     -0.5667000    
 H   -3.292600      -3.832600      -1.880900    
 H   -1.712900      -3.141500      -2.230800    
 H   -1.829100      -4.606500      -1.226600    


%chk=000032044-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032044

0 1
S -1.111599 -1.293145 1.242007
S -4.627808 -0.913576 2.122095
P -3.286978 -0.885806 0.555198
O 4.288616 -1.200436 0.523286
O 5.532155 0.721381 0.899094
O 0.307220 1.543896 -0.166157
O -3.154962 0.493887 -0.472350
O -3.518503 -1.982254 -0.770071
N 2.037966 -0.008039 0.106746
C 3.123295 0.962173 0.398044
C 3.354097 1.947628 -0.799756
C 2.813244 1.765313 1.696498
C 4.434381 0.195806 0.633116
C 3.691084 1.257192 -2.135377
C 0.728539 0.343611 -0.142337
C -0.209865 -0.841276 -0.382122
C -2.999252 1.838378 0.180975
C -3.888982 -3.388049 -0.433501
C -2.861798 2.835256 -0.962343
C -4.145094 -4.082443 -1.767399
H 4.173102 2.628379 -0.504105
H 2.431112 2.544521 -0.898775
H 1.890622 2.346239 1.540651
H 3.649024 2.448449 1.920807
H 2.665061 1.086171 2.554127
H 2.301419 -0.997074 0.115048
H 4.641592 0.693914 -2.080912
H 2.891819 0.557652 -2.439228
H 3.799074 2.010788 -2.935430
H 0.300938 -1.752935 -0.731984
H -0.984292 -0.540359 -1.105469
H 5.162093 -1.644090 0.694590
H -2.087001 1.823472 0.804606
H -3.893391 2.022770 0.805550
H -4.790098 -3.377096 0.208819
H -3.052467 -3.855428 0.122262
H -1.941723 2.629472 -1.532635
H -3.733742 2.789342 -1.636788
H -2.790331 3.858170 -0.548017
H -4.965437 -3.586261 -2.312356
H -3.242040 -4.064326 -2.400795
H -4.427792 -5.136569 -1.589616


