%chk=000117539.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117539

0 1
 S    2.734600      -1.974000      0.6053000    
 P   -2.022000      0.3510000      0.6969000    
 O   -2.138000     -0.6391000     -0.5780000    
 O  -0.8929000       1.432200      0.2938000    
 O   -1.789300     -0.3483000       2.006000    
 N   0.8414000     -0.1017000      0.4142000    
 N    3.103300      0.5885000     -4.9400002E-02
 C   -3.527600       1.309300      0.6819000    
 C   -4.755800      0.4591000      0.9293000    
 C   -2.266300     -0.1267000      -1.892200    
 C   0.4443000       1.165200      0.1726000    
 C    1.306000       2.184200     -0.1796000    
 C    2.637200       1.834100     -0.2768000    
 C   -2.352600      -1.282500      -2.865900    
 C    2.164700     -0.3167000      0.2870000    
 C    3.644300       2.868900     -0.6513000    
 C    1.296100      -2.962300      0.1060000    
 C    1.572500      -4.441200      0.3000000    
 H   -3.457200       2.069200       1.468200    
 H   -3.634100       1.850400     -0.2629000    
 H   -5.657900       1.077900      0.9372000    
 H   -4.865400     -0.3015000      0.1505000    
 H   -4.682800     -5.7500001E-02   1.891200    
 H   -3.172500      0.4794000      -1.968600    
 H   -1.401200      0.4979000      -2.131700    
 H   0.9557000       3.191800     -0.3662000    
 H   -3.209900      -1.921900      -2.630500    
 H   -2.452600     -0.9218000      -3.893400    
 H   -1.458500      -1.911100      -2.797300    
 H    3.648700       3.679800      8.3999999E-02
 H    4.652000       2.441900     -0.6888000    
 H    3.416300       3.282400      -1.638900    
 H   0.4266000      -2.680500      0.7087000    
 H    1.065600      -2.762100     -0.9454000    
 H    2.421100      -4.774500     -0.3069000    
 H    1.780100      -4.677400       1.349200    
 H   0.6984000      -5.026800     -4.1000000E-03


%chk=000117539-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117539

0 1
S 2.626126 -1.838194 -1.035873
P -2.119979 0.180292 0.470881
O -2.432384 -0.022797 -1.217047
O -0.880798 1.500090 0.554247
O -1.840454 -1.151517 1.297545
N 0.769785 0.028223 -0.231152
N 3.044684 0.786612 -0.588176
C -3.555178 1.250410 0.982590
C -4.860594 0.436624 1.072188
C -1.881317 -1.205207 -1.947638
C 0.430167 1.272445 0.179337
C 1.354847 2.342099 0.222716
C 2.674118 2.054229 -0.203848
C -2.679354 -1.315413 -3.243141
C 2.078094 -0.169402 -0.564047
C 3.752028 3.108981 -0.251050
C 1.190145 -2.917265 -0.384833
C 1.644036 -3.783769 0.797189
H -3.279349 1.692926 1.954913
H -3.618947 2.060779 0.238025
H -5.679432 1.088191 1.424207
H -5.146285 0.028877 0.087065
H -4.761642 -0.404383 1.780378
H -0.807110 -1.025988 -2.129538
H -1.993261 -2.101158 -1.308128
H 1.052271 3.335814 0.554589
H -2.581147 -0.393699 -3.841442
H -2.298430 -2.162586 -3.843328
H -3.749448 -1.487123 -3.035545
H 4.593654 2.818848 0.402773
H 4.157416 3.188239 -1.275471
H 3.374560 4.095124 0.064328
H 0.391661 -2.215630 -0.093814
H 0.859419 -3.522867 -1.245120
H 2.476752 -4.455970 0.524005
H 1.970605 -3.154127 1.642292
H 0.797043 -4.406112 1.144023


