%chk=000170354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170354

0 1
 S   -2.047500     -0.9260000      -1.888400    
 F   -1.510300       4.186000       1.542600    
 F   0.1573000       3.046600      0.7521000    
 F   -1.191900       4.078300     -0.6058000    
 O   -2.260200      -2.308900      -1.475100    
 O   -2.670900     -0.4435000      -3.115300    
 O   -4.363200      -2.057400       1.289600    
 O   -5.068400      -1.609400     -0.8554000    
 O   0.2306000      -1.336500      0.1526000    
 O    6.431200      0.3493000     -0.8529000    
 O    3.977500      -1.543300       2.734400    
 N   -1.734900       1.232400     -0.5240000    
 N  -0.3596000     -0.6357000      -1.983200    
 N    1.851900     -0.4484000      -1.273900    
 N    4.156300     -4.1999999E-02  -1.075600    
 N    2.909000      -1.003900      0.7481000    
 C   -2.523400      0.1367000     -0.5955000    
 C   -3.585000     -0.1122000      0.2594000    
 C   -2.027400       2.120100      0.4528000    
 C   -3.854800      0.8240000       1.251400    
 C   -3.065900       1.964200       1.356700    
 C   -4.408200      -1.305900      0.1471000    
 C   -1.160600       3.331800      0.5360000    
 C   0.5767000     -0.8524000     -0.9181000    
 C    3.031100     -0.5006000     -0.4949000    
 C    5.261600     -0.1066000     -0.3047000    
 C    4.052700      -1.039100       1.463100    
 C    5.269900     -0.5998000      0.9841000    
 C   -5.134800      -3.263200       1.301700    
 C    6.363600      0.8464000      -2.184400    
 C    2.697600      -1.981100       3.175400    
 H   -4.677800      0.6798000       1.946500    
 H   -3.275000       2.696000       2.129100    
 H  -1.9300001E-02 -0.1590000      -2.827800    
 H    1.977500     -6.3800000E-02  -2.206200    
 H    6.172600     -0.6397000       1.580500    
 H   -6.196200      -3.032500       1.171500    
 H   -4.787200      -3.940600      0.5161000    
 H   -4.995300      -3.747200       2.271800    
 H    7.368100       1.168500      -2.474700    
 H    5.699700       1.715100      -2.246000    
 H    6.046200      6.2700003E-02  -2.880500    
 H    1.982100      -1.152000       3.188500    
 H    2.328600      -2.804200       2.554200    
 H    2.802800      -2.352200       4.199200    


%chk=000170354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170354

0 1
S -2.067224 -0.584570 -2.171936
F -1.338224 3.323673 2.884417
F 0.272040 2.652557 1.432558
F -1.411913 3.986127 0.712476
O -2.220512 -2.189278 -2.148589
O -2.632032 0.326476 -3.382717
O -4.720008 -2.499344 0.883272
O -4.947153 -1.520233 -1.227486
O 0.136047 -1.100485 -0.077746
O 6.592003 -0.419944 -1.079336
O 3.851890 0.099927 2.797998
N -1.826705 1.198358 -0.047150
N -0.275805 -0.165779 -2.182528
N 1.923360 -0.411263 -1.500159
N 4.234732 -0.433851 -1.294962
N 2.844379 -0.154989 0.682371
C -2.540688 0.143314 -0.390278
C -3.480304 -0.520465 0.430616
C -1.943472 1.672658 1.222803
C -3.556135 -0.050646 1.765611
C -2.772317 1.049988 2.177644
C -4.434754 -1.552102 -0.088082
C -1.112937 2.895734 1.552474
C 0.571401 -0.596068 -1.141968
C 3.035722 -0.339948 -0.642889
C 5.341799 -0.341169 -0.502898
C 3.977264 -0.079760 1.439294
C 5.279326 -0.168912 0.898551
C -5.651907 -3.579207 0.459583
C 6.651331 -0.607550 -2.545160
C 2.471015 0.210133 3.330434
H -4.237899 -0.547782 2.460691
H -2.815083 1.423994 3.202547
H -0.039093 0.572619 -2.854317
H 2.171072 -0.421920 -2.492823
H 6.173550 -0.102378 1.516149
H -6.637852 -3.151398 0.213103
H -5.241792 -4.094077 -0.424209
H -5.710099 -4.251994 1.325375
H 7.727109 -0.646697 -2.768199
H 6.169205 0.237737 -3.064546
H 6.150480 -1.545834 -2.837145
H 1.974782 1.106279 2.921804
H 1.881353 -0.680914 3.059356
H 2.610846 0.289785 4.418097


