%chk=000177369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177369

0 1
 S  -0.5904000       1.977000      -2.258400    
 F    3.325000       1.620400      -1.544400    
 F    2.596800       3.743400       2.621300    
 O    1.085600      -1.676400     -0.1111000    
 N    4.023500      -1.772400     -6.0100000E-02
 N   -1.262200     -0.2716000      -1.174400    
 N    4.889900     -0.9540000      0.5270000    
 N    4.875600      -3.038100       1.469800    
 N   -8.150600      -1.365200       1.921700    
 C    1.837400     -0.6596000     -0.7884000    
 C    1.036900     -0.2417000      -2.085300    
 C    3.210400      -1.293300      -1.182600    
 C    2.046200      0.5455000      0.1418000    
 C   0.8740000      -1.376400      -3.112700    
 C  -0.3344000      0.3792000      -1.775400    
 C    2.785300       1.607100     -0.3175000    
 C    1.482800      0.5052000       1.393000    
 C   -2.340900      0.5843000      -1.064300    
 C    2.973200       2.699500      0.5293000    
 C    1.670800       1.597500       2.240000    
 C    4.006900      -3.000800      0.4862000    
 C   -2.165800       1.845700      -1.593300    
 C    2.416000       2.694700       1.808000    
 C   -3.563300      0.1747000     -0.4353000    
 C    5.387700      -1.772200       1.456500    
 C   -4.778700      0.7254000     -0.8447000    
 C   -3.539400     -0.7752000      0.5869000    
 C   -5.967400      0.3267000     -0.2333000    
 C   -4.728200      -1.173900       1.198200    
 C   -5.942300     -0.6231000      0.7880000    
 C   -7.160300      -1.032500       1.413300    
 H    1.634000      0.5145000      -2.612800    
 H    3.842400     -0.6155000      -1.766500    
 H    3.056000      -2.190300      -1.794000    
 H   0.3553000      -2.240900      -2.686500    
 H    1.836900      -1.707400      -3.511200    
 H   0.2792000      -1.035700      -3.968800    
 H    1.096400      -2.482900     -0.6527000    
 H   0.8955000     -0.3278000       1.762900    
 H    3.553400       3.553500      0.1931000    
 H    1.236700       1.594900       3.235500    
 H    3.373400      -3.812300      0.1567000    
 H   -2.841400       2.689400      -1.622100    
 H    6.146500      -1.435100       2.146700    
 H   -4.841500       1.454200      -1.648700    
 H   -2.605000      -1.215300      0.9274000    
 H   -6.906600      0.7621000     -0.5664000    
 H   -4.692400      -1.914500       1.993700    


%chk=000177369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177369

0 1
S -0.664234 2.057147 -2.846556
F 3.465729 1.651566 -1.539048
F 2.640443 3.622223 2.771043
O 0.856946 -1.682024 -0.415269
N 3.743119 -1.851479 0.048272
N -1.107596 -0.081962 -1.354102
N 4.920746 -1.215765 0.473969
N 4.239105 -2.825581 2.005632
N -7.656977 -1.667452 2.480198
C 1.771831 -0.687870 -0.975833
C 1.193489 -0.157294 -2.354752
C 3.108135 -1.450063 -1.207504
C 1.987041 0.481443 0.010829
C 1.069821 -1.274024 -3.430140
C -0.160205 0.464702 -2.104991
C 2.814910 1.587921 -0.278852
C 1.399471 0.461314 1.298844
C -2.291756 0.683158 -1.282427
C 3.053485 2.649268 0.603705
C 1.602112 1.500618 2.232046
C 3.358747 -2.798313 0.974460
C -2.239062 1.857851 -2.026257
C 2.424766 2.575897 1.858208
C -3.431483 0.198546 -0.477692
C 5.167078 -1.847683 1.655570
C -4.515086 1.054625 -0.136686
C -3.461835 -1.150362 -0.027979
C -5.599527 0.579640 0.618860
C -4.541458 -1.634080 0.730995
C -5.624723 -0.773257 1.060821
C -6.734104 -1.262146 1.835814
H 1.875896 0.623498 -2.731834
H 3.829547 -0.812973 -1.741598
H 2.890400 -2.351384 -1.802493
H 0.527908 -2.145617 -3.025958
H 2.065914 -1.600943 -3.774338
H 0.521121 -0.897959 -4.311044
H -0.081275 -1.312623 -0.533137
H 0.788880 -0.405262 1.566278
H 3.707652 3.481144 0.333178
H 1.147847 1.474907 3.225718
H 2.461328 -3.399894 0.871801
H -3.013346 2.607668 -2.169412
H 6.030965 -1.597000 2.265065
H -4.505058 2.104785 -0.446507
H -2.635077 -1.816702 -0.289246
H -6.426665 1.247152 0.878984
H -4.556067 -2.674558 1.069465


