%chk=000087701.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087701

0 1
 S  -0.4119000     -0.9724000     -0.5377000    
 P    1.337200     -0.1441000      0.3468000    
 O    1.275400     -0.4348000       1.830400    
 N    1.372300       1.487300     -3.2800000E-02
 N    2.676300     -0.8403000     -0.4018000    
 C   -1.810700     -8.7200001E-02  0.1764000    
 C   -3.158700     -0.5679000     -0.3604000    
 C   -4.360200      0.1415000      0.2698000    
 C    1.314100       1.905600      -1.434300    
 C   0.5941000       2.415100      0.7866000    
 C    2.875900      -2.283300     -0.2212000    
 C    3.968800     -0.1730000     -0.1951000    
 C   -5.672400     -0.4467000     -0.2267000    
 H   -1.715600      0.9704000     -6.8099998E-02
 H   -1.773800     -0.1917000       1.265200    
 H   -3.193500     -0.4264000      -1.448400    
 H   -3.253600      -1.646200     -0.1770000    
 H   -4.315500      4.8200000E-02   1.361000    
 H   -4.325000       1.210900      3.2699998E-02
 H    1.978800       1.295600      -2.053000    
 H    1.643400       2.944300      -1.547500    
 H   0.3008000       1.814700      -1.838700    
 H    1.028000       3.420100      0.7342000    
 H   0.6220000       2.121400       1.840400    
 H  -0.4493000       2.486600      0.4774000    
 H    3.130200      -2.521600      0.8169000    
 H    3.667200      -2.661400     -0.8776000    
 H    1.966400      -2.832500     -0.4809000    
 H    3.919700      0.8821000     -0.4779000    
 H    4.751600     -0.6208000     -0.8175000    
 H    4.276200     -0.2290000      0.8546000    
 H   -6.518400      7.5400002E-02  0.2312000    
 H   -5.749500      -1.508000      2.9899999E-02
 H   -5.759900     -0.3480000      -1.313400    


%chk=000087701-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087701

0 1
S -0.713797 0.544741 -1.546615
P 0.888651 0.607123 0.160745
O 0.171942 0.664710 1.601307
N 1.941002 1.981269 -0.076707
N 1.946967 -0.712141 -0.288750
C -2.252638 0.632080 -0.418611
C -3.064568 -0.671750 -0.448366
C -4.336135 -0.573041 0.431233
C 2.495846 2.229843 -1.420751
C 1.703172 3.180829 0.749703
C 1.375715 -2.029861 -0.631246
C 3.304430 -0.774888 0.299293
C -5.167338 -1.874277 0.409627
H -2.838712 1.492926 -0.783768
H -1.873721 0.848315 0.598537
H -3.355765 -0.916102 -1.489321
H -2.429781 -1.505130 -0.088832
H -4.042292 -0.335300 1.473104
H -4.962283 0.272478 0.079798
H 2.697575 1.271717 -1.927800
H 3.449474 2.780820 -1.322360
H 1.804870 2.828315 -2.052079
H 2.672703 3.668435 0.964166
H 1.233853 2.880844 1.700891
H 1.043261 3.915876 0.241152
H 1.296823 -2.693403 0.255709
H 2.027651 -2.519092 -1.379321
H 0.375165 -1.902227 -1.076516
H 3.665247 0.242807 0.517717
H 3.988892 -1.246194 -0.431449
H 3.324499 -1.372558 1.235092
H -6.073794 -1.783288 1.035851
H -4.576783 -2.728065 0.791436
H -5.489732 -2.121910 -0.619370


