%chk=000060741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060741

0 1
 S   -2.968600      0.8134000     -0.3496000    
 F  -0.2611000     -0.6871000       2.299900    
 F   6.0600001E-02  -4.637400     -0.2847000    
 O  -9.4700001E-02   1.517500      -1.319000    
 O   -3.052200       1.521800      -1.608100    
 O   -2.855800     -0.6276000     -0.2993000    
 N    2.309400       1.290600      0.3124000    
 N    2.956600      0.2093000      0.7325000    
 N    4.164200       1.418900     -0.7878000    
 C  -0.2099000      0.9689000      1.0800000E-02
 C   -1.583600       1.490300      0.5541000    
 C   0.9685000       1.586300      0.8282000    
 C  -0.1355000     -0.5596000     -6.7199998E-02
 C   -1.756100       3.004600      0.6503000    
 C   -4.355000       1.293300      0.6466000    
 C  -0.1672000      -1.281900       1.102500    
 C  -4.0600002E-02  -1.147400      -1.306600    
 C  -9.9699996E-02  -2.673200       1.028200    
 C   2.6900001E-02  -2.538500      -1.380800    
 C    3.010000       2.009500     -0.5816000    
 C  -2.7000001E-03  -3.301500     -0.2134000    
 C    4.086600      0.3299000      3.2499999E-02
 H   -1.707000       1.095500       1.571300    
 H   0.9555000       1.281000       1.880200    
 H   0.9186000       2.680800      0.8076000    
 H  -0.9967000       3.451100       1.298300    
 H   -2.714800       3.292100       1.087800    
 H   -1.682700       3.482900     -0.3317000    
 H  -0.9245000       1.376200      -1.802900    
 H   -4.555200       2.358000      0.5266000    
 H   -5.223300      0.7297000      0.2957000    
 H   -4.156900       1.038200       1.688900    
 H  -1.1300000E-02 -0.5962000      -2.239400    
 H  -0.1233000      -3.267200       1.936900    
 H   0.1027000      -3.028600      -2.347000    
 H    2.662800       2.921900      -1.045700    
 H    4.877900     -0.3993000      0.1221000    


%chk=000060741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060741

0 1
S -3.064130 0.656724 -0.127519
F -0.233576 -0.751291 2.379074
F 0.450824 -4.616066 -0.404870
O -0.246920 1.756361 -1.193748
O -2.740754 0.987414 -1.726139
O -3.333702 -0.874710 0.356886
N 2.257599 1.265073 0.228809
N 3.107990 0.374004 0.906160
N 3.977846 0.947619 -1.171976
C -0.240165 1.087009 0.102884
C -1.528035 1.470686 0.907855
C 1.003269 1.684537 0.845888
C -0.087487 -0.442641 -0.033797
C -1.780404 2.966019 1.067895
C -4.659650 1.642293 0.259434
C -0.071515 -1.306864 1.081515
C 0.111473 -1.042811 -1.299533
C 0.101382 -2.692053 1.003837
C 0.289889 -2.434714 -1.441990
C 2.795000 1.586207 -1.001392
C 0.275873 -3.227852 -0.283352
C 4.122736 0.224478 0.010512
H -1.612815 0.898626 1.845659
H 1.030423 1.346992 1.893388
H 0.929471 2.783667 0.801400
H -1.022257 3.387166 1.754689
H -2.760889 3.178832 1.526934
H -1.693567 3.495825 0.104448
H -1.116660 1.503771 -1.665209
H -4.511029 2.675778 -0.077721
H -5.421583 1.122366 -0.338754
H -4.854262 1.552113 1.337170
H 0.131874 -0.399040 -2.182309
H 0.100408 -3.320584 1.896882
H 0.437923 -2.894825 -2.421986
H 2.300178 2.239093 -1.713228
H 4.977143 -0.413001 0.220805


