%chk=000091369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091369

0 1
 S    2.413200     -0.1367000      8.9599997E-02
 F  -4.2800002E-02 -0.2591000      -1.739700    
 F   -1.132900      -2.106900      -2.076100    
 F   -1.080600     -0.2184000      0.8984000    
 F   -2.181600      -2.034700      0.4279000    
 F   7.1099997E-02  -3.332000     -4.7400001E-02
 F    1.409000      -2.527100      -1.556600    
 F   -3.361700     -0.8448000      -1.681900    
 F   -2.267000       1.001800      -1.315500    
 F    2.303700      -2.560700      0.9927000    
 F   0.6836000      -1.277400       1.655300    
 F   -4.412100     -0.7821000      0.8371000    
 F   -3.308100       1.039400       1.295200    
 F   -4.513200       2.257500     -0.9146000    
 F   -5.601300      0.4084000      -1.276800    
 F   -6.708900      0.5202000       1.218700    
 F   -7.031500       2.313200      1.9500000E-02
 F   -5.604400       2.351800       1.659200    
 O    1.577100       1.037400      0.2559000    
 O    3.026000     -0.4182000      -1.195000    
 O    6.028700      0.7625000      4.3000001E-03
 O    8.091800       1.629500      0.5806000    
 N    3.634900     -0.1052000       1.296100    
 C  -0.5508000      -1.343900      -1.105500    
 C   -1.635300     -0.9147000     -0.1261000    
 C   0.5943000      -2.164100     -0.5245000    
 C   -2.784000     -9.3500003E-02 -0.7015000    
 C    1.458800      -1.572800      0.5798000    
 C   -3.867600      0.3352000      0.2777000    
 C   -5.013000       1.154500     -0.2989000    
 C    4.818300     -0.9820000       1.122500    
 C    3.238400      3.2000002E-02   2.718400    
 C   -6.091900       1.584200      0.6636000    
 C    6.079200     -0.1374000       1.103900    
 C    7.104700       1.589400     -0.1368000    
 C    6.872100       2.443500      -1.319800    
 C    7.784000       3.351200      -1.679500    
 H    4.867700      -1.723800       1.927500    
 H    4.746500      -1.542000      0.1846000    
 H    2.425600      0.7568000       2.819000    
 H    4.080500      0.4051000       3.308900    
 H    2.915500     -0.9298000       3.126300    
 H    6.175800      0.4314000       2.036100    
 H    6.952100     -0.7920000      0.9970000    
 H    5.955700       2.322300      -1.886600    
 H    7.612400       3.978100      -2.548200    
 H    8.709500       3.496100      -1.133200    


%chk=000091369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091369

0 1
S 2.652824 -0.061020 -0.071713
F -0.143354 -0.450358 -1.700636
F -1.480327 -2.308540 -1.800956
F -1.174822 0.377213 0.589336
F -2.047711 -1.667885 1.132950
F -0.203253 -3.486241 0.313514
F 1.147031 -2.853844 -1.411121
F -3.952013 -1.539657 -0.717194
F -2.903028 0.118615 -1.900158
F 2.362503 -2.657143 1.041129
F 0.775443 -1.208056 1.806401
F -3.839860 0.447573 1.581712
F -3.396104 1.977010 -0.060610
F -5.668019 0.578033 -1.543111
F -6.160161 -0.277894 0.521666
F -5.885925 2.499014 1.537832
F -7.597530 1.952367 0.148824
F -5.847156 3.148622 -0.642583
O 1.900910 1.265643 0.456809
O 2.987057 -0.340638 -1.626850
O 6.874679 0.350039 -0.348763
O 6.713509 1.765230 1.514170
N 4.207784 -0.234759 0.864027
C -0.751467 -1.465308 -0.928598
C -1.776000 -0.787338 0.062899
C 0.398756 -2.357020 -0.316228
C -3.150421 -0.381482 -0.603834
C 1.404820 -1.693775 0.653240
C -3.962385 0.709176 0.198678
C -5.498785 0.767856 -0.152682
C 5.133802 -1.269098 0.360699
C 4.095305 0.024575 2.313350
C -6.211912 2.120475 0.228766
C 6.599407 -0.815956 0.511926
C 6.866592 1.613040 0.277130
C 7.081389 2.671216 -0.737817
C 7.131754 3.982265 -0.385956
H 5.008955 -2.230978 0.901967
H 4.919339 -1.431128 -0.710420
H 3.283895 0.749924 2.491631
H 5.038426 0.504809 2.629969
H 3.914063 -0.898613 2.899105
H 6.852574 -0.570645 1.557913
H 7.256259 -1.620155 0.141065
H 7.185640 2.335671 -1.774192
H 7.282379 4.767781 -1.133393
H 7.016637 4.283585 0.661705


