%chk=000159094.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159094

0 1
 S    2.548200     -0.1405000      -1.683400    
 F   -4.529100      -3.613300      0.3730000    
 F   -3.449600      -2.444700      -1.109800    
 O    3.508100      0.7278000      -2.347900    
 O    2.048500      -1.323700      -2.366200    
 O  -0.2983000     -0.9201000     -0.7773000    
 O   -4.633900      -1.383400      0.4999000    
 O    4.588200       2.363300       1.183500    
 O    3.529600       2.016300     -0.7081000    
 N    1.216200      0.8007000      -1.159400    
 N  -0.9573000       1.300800     -0.4851000    
 N    4.002600       1.603300      0.3768000    
 N   -2.953000       2.339000      0.1556000    
 N   -2.794400     -6.1000001E-02  6.6000000E-03
 C    3.228100     -0.6658000     -0.1562000    
 C    3.871000      0.2249000      0.7033000    
 C    3.113700      -2.011600      0.1922000    
 C    4.399500     -0.2300000       1.911300    
 C    3.642100      -2.466600       1.400400    
 C    4.284900      -1.575900       2.259800    
 C  -7.1000002E-02  0.2834000     -0.7938000    
 C   -2.309100       1.186700     -8.5500002E-02
 C   -4.239900       2.193400      0.5342000    
 C   -4.865400      0.9710000      0.6695000    
 C   -4.086000     -0.1329000      0.3897000    
 C   -5.001800       3.444600      0.8158000    
 C   -3.792000      -2.485600      0.2013000    
 H    2.617200      -2.732600     -0.4501000    
 H    1.331400       1.821700      -1.183200    
 H    4.907400      0.4307000       2.609200    
 H    3.552300      -3.514300       1.672600    
 H    4.695800      -1.930600       3.200500    
 H  -0.6135000       2.255100     -0.5473000    
 H   -5.900300      0.8794000      0.9752000    
 H   -4.374900       4.329700      0.6646000    
 H   -5.864400       3.524100      0.1466000    
 H   -5.351600       3.452300       1.853000    
 H   -2.902700      -2.535900      0.8389000    


%chk=000159094-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159094

0 1
S 2.784751 0.603250 -1.673795
F -2.448416 -2.039180 2.990255
F -3.532536 -3.390003 1.518247
O 3.897105 1.766221 -1.797055
O 2.479058 -0.361016 -2.931128
O 0.036337 -0.493880 -0.855933
O -4.015968 -1.169150 1.525552
O 4.566446 1.493675 2.475734
O 3.025402 2.078298 0.902904
N 1.231808 1.488141 -1.253874
N -1.049806 1.628210 -0.895913
N 3.773774 1.215146 1.502675
N -3.242638 2.331477 -0.579904
N -2.504301 0.204816 0.341275
C 3.164713 -0.585835 -0.194934
C 3.681111 -0.199344 1.060698
C 3.011772 -1.937634 -0.530920
C 4.071245 -1.190348 1.989969
C 3.383657 -2.927125 0.408670
C 3.921027 -2.552454 1.660644
C 0.058853 0.754812 -0.975666
C -2.311710 1.353688 -0.355052
C -4.496920 2.117347 -0.065857
C -4.805990 0.932297 0.652315
C -3.751037 0.015677 0.818418
C -5.531893 3.190076 -0.302121
C -2.951014 -2.110600 1.660712
H 2.610279 -2.197342 -1.515792
H 1.419266 2.421611 -0.868433
H 4.472946 -0.869044 2.955075
H 3.254507 -3.983828 0.156012
H 4.215092 -3.318422 2.384584
H -0.989919 2.544442 -1.349203
H -5.798818 0.735820 1.058801
H -5.091063 4.016004 -0.879709
H -6.397574 2.786895 -0.858669
H -5.915150 3.586963 0.655658
H -2.127793 -1.959960 0.945960


