%chk=000105438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105438

0 1
 S   -2.365700     -0.9790000     -0.2294000    
 F   3.5200000E-02  0.1384000      -1.397900    
 F  -0.4716000       2.239700      -1.195800    
 F    2.079000       1.853600      -1.707100    
 F    1.710900       2.752100      0.2383000    
 F   7.1800001E-02 -3.9299998E-02   1.439700    
 F  -0.5058000       2.055300       1.510700    
 F    3.825100       1.194100      0.1897000    
 F    2.273800      0.4339000       1.503800    
 F   -2.716400       1.573400      2.9100001E-02
 F   -2.544400      0.4730000       1.898400    
 F    1.519700      -1.383000     -0.5002000    
 F    3.119900     -0.6035000      -1.756600    
 F    3.325000      -1.909300       1.499600    
 F    3.780000      -2.881100     -0.3982000    
 F    4.944300      -1.152600      0.2502000    
 O   -2.432900     -0.7003000      -1.650900    
 O   -1.462100      -1.988100      0.2887000    
 N   -3.937700      -1.334200      0.3432000    
 C   0.1542000       1.202900     -0.5668000    
 C    1.625900       1.577000     -0.4499000    
 C  -0.5742000      0.9294000      0.7428000    
 C    2.596700      0.5984000      0.1954000    
 C   -2.045400      0.5550000      0.6320000    
 C    2.726400     -0.7645000     -0.4673000    
 C    3.704000      -1.684800      0.2223000    
 C   -4.994100     -0.3133000      0.2212000    
 C   -6.312700      -1.000700      8.1600003E-02
 C   -7.128700     -0.8424000     -0.9665000    
 H   -3.988500      -1.874800       1.217200    
 H   -5.004100      0.3068000       1.123100    
 H   -4.804600      0.3318000     -0.6428000    
 H   -6.628400      -1.654300      0.8910000    
 H   -8.078800      -1.364000      -1.006300    
 H   -6.867600     -0.1968000      -1.797600    


%chk=000105438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105438

0 1
S -2.553129 -0.778760 -0.667096
F 0.205131 0.554748 -1.310599
F 0.032055 2.788400 -0.859020
F 2.543008 2.101316 -1.230814
F 2.137766 2.672869 0.941719
F -0.144753 0.078483 1.565188
F -0.501310 2.324144 1.792946
F 4.174827 0.889060 0.462368
F 2.504786 0.158426 1.826979
F -2.574263 2.069862 -0.271037
F -2.817074 0.846114 1.640507
F 1.581278 -1.582953 -0.030651
F 2.800255 -0.625260 -1.716348
F 4.187056 -2.059805 1.326440
F 3.669616 -3.161952 -0.588964
F 5.161035 -1.460882 -0.638640
O -2.798692 -0.243558 -2.169146
O -1.513927 -1.949017 -0.276774
N -4.164115 -1.223980 -0.000172
C 0.407964 1.539134 -0.311890
C 1.961196 1.652109 -0.023267
C -0.571678 1.237382 0.874744
C 2.832696 0.426417 0.482760
C -2.049382 1.004458 0.464057
C 2.784139 -0.915816 -0.333749
C 3.976067 -1.909781 -0.050384
C -5.332861 -0.360161 -0.343108
C -6.564332 -0.998111 0.268174
C -7.524382 -1.625714 -0.454220
H -4.077217 -1.553634 0.974041
H -5.208928 0.674869 0.038866
H -5.406046 -0.323564 -1.441688
H -6.663813 -0.918380 1.360602
H -8.411073 -2.053313 0.026737
H -7.453701 -1.724349 -1.543862


