%chk=000158821.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158821

0 1
 S   -1.111300      -1.434200     -0.2340000    
 S   0.3224000     -0.1297000       2.695100    
 P   0.3702000     -0.2395000      0.7329000    
 O   0.2889000       1.239900      3.5900000E-02
 O    3.116100      -1.371600      -1.825300    
 N    1.919400     -0.8398000      0.1270000    
 C   -2.694700     -0.8254000      0.3809000    
 C   -2.877000      0.6749000      0.1079000    
 C   -3.814700      -1.635200     -0.2683000    
 C   -2.864200       1.039000      -1.371800    
 C    1.283300       2.215800      0.2977000    
 C    2.994600      -1.195400       1.041200    
 C    2.113100     -0.9742000      -1.244200    
 C   0.9538000       3.475300     -0.4750000    
 H   -2.728400     -0.9903000       1.463200    
 H   -3.842200      0.9903000      0.5256000    
 H   -2.127400       1.264600      0.6434000    
 H   -4.794600      -1.254800      4.1499998E-02
 H   -3.766200      -2.684600      4.5699999E-02
 H   -3.779400      -1.617700      -1.362800    
 H   -3.681400      0.5618000      -1.919700    
 H   -2.999400       2.121200      -1.478300    
 H   -1.919200      0.7865000      -1.860200    
 H    1.312200       2.441200       1.367200    
 H    2.262900       1.838900     -9.8999999E-03
 H    3.877400      -1.545500      0.4997000    
 H    2.647800      -1.995900       1.699200    
 H    3.269300     -0.3125000       1.623500    
 H    1.229100     -0.6473000      -1.812900    
 H    1.702000       4.252100     -0.2948000    
 H   0.9109000       3.267600      -1.549300    
 H  -3.0600000E-02   3.858000     -0.1858000    


%chk=000158821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158821

0 1
S -1.012634 -1.185051 -0.673397
S 0.204207 0.085223 2.608313
P 0.518893 -0.076901 0.565537
O 0.634337 1.417828 -0.337069
O 3.736278 -1.180713 -1.488581
N 2.051760 -0.879622 0.119525
C -2.594112 -0.723155 0.345687
C -3.056662 0.717292 0.042654
C -3.632011 -1.819438 0.044415
C -3.502797 0.977348 -1.410314
C 1.375976 2.557754 0.293807
C 2.604099 -1.916997 1.022042
C 2.679751 -0.612037 -1.112500
C 1.208160 3.740753 -0.654339
H -2.257741 -0.793719 1.398089
H -3.896131 0.935710 0.736219
H -2.241048 1.415983 0.310249
H -4.561323 -1.595191 0.601864
H -3.269992 -2.812412 0.360616
H -3.886345 -1.867183 -1.028576
H -4.385290 0.372277 -1.686295
H -3.772641 2.040238 -1.544379
H -2.685883 0.742160 -2.116240
H 0.939339 2.754503 1.290840
H 2.439570 2.273714 0.415355
H 3.598136 -2.185864 0.631154
H 1.962773 -2.816103 1.029856
H 2.689426 -1.521126 2.047053
H 2.149122 0.157460 -1.707232
H 1.731357 4.623790 -0.243140
H 1.632891 3.515400 -1.647157
H 0.141237 3.991581 -0.778757


