%chk=000032184.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032184

0 1
 S    3.254300      0.3815000       2.357600    
 P    2.865400     -4.0600002E-02  0.4937000    
 O    1.397700     -0.6476000      0.1684000    
 O    2.922500       1.211700     -0.5459000    
 O    3.845500      -1.104700     -0.2508000    
 N   -1.821500      0.2536000      0.2011000    
 N  -0.8840000     -0.6772000     -3.2699998E-02
 N   4.0399998E-02   1.281300      0.7036000    
 C   -3.173000     -1.1000000E-03 -7.9999998E-04
 C   0.2014000      6.6000000E-03  0.2890000    
 C    4.073100       2.038900     -0.5917000    
 C    3.823100      -2.469500      0.1313000    
 C   -1.264000       1.414600      0.6385000    
 C   -4.108600      0.9967000      0.2532000    
 C   -3.579600      -1.251500     -0.4554000    
 C   -5.464800      0.7416000      5.0400000E-02
 C   -4.935800      -1.506600     -0.6583000    
 C    3.864600       3.116300      -1.634500    
 C    4.821800      -3.233900     -0.7113000    
 C   -5.878500     -0.5102000     -0.4054000    
 H    4.235200       2.505300      0.3840000    
 H    4.946400       1.429600     -0.8440000    
 H    4.082400      -2.556700       1.190600    
 H    2.817900      -2.874100     -2.0500001E-02
 H   -1.797700       2.318100      0.8971000    
 H   -3.844100       1.986900      0.6082000    
 H   -2.876600      -2.053600     -0.6638000    
 H    4.735900       3.774200      -1.696800    
 H    3.687100       2.670600      -2.618800    
 H    2.982500       3.719300      -1.394800    
 H    4.830300      -4.293700     -0.4421000    
 H    4.579300      -3.141200      -1.775100    
 H    5.829800      -2.827100     -0.5781000    
 H   -6.199500       1.516900      0.2471000    
 H   -5.258400      -2.481200      -1.013100    
 H   -6.934400     -0.7089000     -0.5634000    


%chk=000032184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032184

0 1
S 2.890751 0.020330 2.222011
P 3.042749 -0.176929 0.178764
O 1.520902 -0.700972 -0.634682
O 3.643965 1.117193 -0.759272
O 4.027368 -1.392225 -0.508370
N -1.751898 0.334188 -0.140697
N -0.835113 -0.718197 -0.340708
N 0.253429 1.336430 -0.219941
C -3.153880 0.053302 -0.036933
C 0.343404 -0.044883 -0.390269
C 3.433935 2.525759 -0.274124
C 3.790640 -2.811190 -0.083756
C -1.072613 1.536300 -0.060547
C -4.089166 1.112595 0.055894
C -3.586686 -1.293559 -0.029423
C -5.463507 0.815119 0.166259
C -4.964548 -1.574531 0.078013
C 4.126409 3.409550 -1.305237
C 4.902404 -3.625631 -0.735042
C -5.908950 -0.526777 0.178379
H 2.346097 2.705444 -0.214845
H 3.885501 2.619159 0.731189
H 3.826990 -2.863786 1.021434
H 2.788186 -3.114426 -0.435700
H -1.542147 2.498529 0.115610
H -3.764979 2.158172 0.037305
H -2.843429 -2.090271 -0.107793
H 4.023081 4.469958 -1.008511
H 5.200575 3.168227 -1.374673
H 3.671138 3.278764 -2.301179
H 4.781950 -4.693215 -0.473444
H 4.863614 -3.527609 -1.832827
H 5.892237 -3.286893 -0.386153
H -6.185948 1.635096 0.238376
H -5.299187 -2.617301 0.084375
H -6.977175 -0.751421 0.263018


