%chk=000028690.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028690

0 1
 S   -1.702900       2.682900       1.477800    
 F   -6.558600      -1.791500      0.2686000    
 F   -5.587700      -1.824700      -1.670500    
 F   -4.825000      -3.063900     -5.4499999E-02
 N    4.992400      -1.118100      0.3980000    
 N    2.103500     -0.9731000      0.4810000    
 N  -0.9373000      0.4954000     -0.5944000    
 C    6.341900     -0.7083000     -6.6000000E-02
 C    7.544800      -1.198900      0.6645000    
 C    7.230400      -1.718100     -0.7078000    
 C    4.301300     -2.4400000E-02   1.091900    
 C    4.169000      -1.625800     -0.7066000    
 C    2.923200     -0.4710000       1.590300    
 C    2.791500      -2.072400     -0.2066000    
 C   0.7902000      -1.401100      0.9588000    
 C  -0.1358000      -1.802000     -0.1937000    
 C  -0.3748000     -0.7036000      -1.229200    
 C   -2.240100      0.3924000     -4.4500001E-02
 C  -0.1619000       1.681600     -0.6376000    
 C   -2.711600       1.338000      0.8876000    
 C  -0.4274000       2.754800      0.2356000    
 C   -3.134300     -0.6315000     -0.4266000    
 C   0.8815000       1.859400      -1.572400    
 C   -4.422800     -0.7261000      0.1064000    
 C   -4.007300       1.235300       1.424400    
 C   0.3401000       3.932000      0.1837000    
 C   -4.858500      0.2064000       1.035400    
 C    1.638000       3.033300      -1.623000    
 C    1.369300       4.069500     -0.7417000    
 C   -5.331100      -1.826600     -0.3290000    
 H    6.391800      0.2912000     -0.4904000    
 H    8.384600     -0.5227000      0.7681000    
 H    7.408900      -1.873500       1.501100    
 H    6.919400      -2.753100     -0.7775000    
 H    7.860300      -1.390300      -1.526200    
 H    4.190400      0.8468000      0.4318000    
 H    4.896900      0.2971000       1.955000    
 H    4.648600      -2.491600      -1.176800    
 H    4.052600     -0.8588000      -1.484500    
 H    2.430200      0.3919000       2.054400    
 H    3.042400      -1.237500       2.368000    
 H    2.902100      -2.943100      0.4540000    
 H    2.241200      -2.399500      -1.093800    
 H   0.3190000     -0.5919000       1.529900    
 H   0.8840000      -2.249400       1.650000    
 H   -1.080700      -2.125300      0.2572000    
 H   0.2293000      -2.701200     -0.7027000    
 H   0.5844000     -0.5614000      -1.726200    
 H   -1.023600      -1.060600      -2.037800    
 H   -2.859400      -1.378300      -1.166400    
 H    1.119200       1.130900      -2.340000    
 H   -4.367800       1.958700       2.153200    
 H   0.1429000       4.756900      0.8654000    
 H   -5.854700      0.1537000       1.465000    
 H    2.427600       3.138400      -2.361600    
 H    1.953500       4.983900     -0.7773000    


%chk=000028690-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028690

0 1
S -1.396232 2.329916 1.983746
F -6.744699 -1.247020 -0.345859
F -5.186835 -1.829885 -1.895899
F -5.232015 -2.868655 0.113683
N 5.073782 -1.248062 0.210211
N 2.186662 -1.340454 0.382861
N -0.868092 0.518042 -0.437413
C 6.383119 -0.890431 -0.311997
C 7.521858 -0.662992 0.686931
C 7.511140 -1.920890 -0.200197
C 4.296087 -0.074471 0.679556
C 4.278801 -2.067604 -0.735603
C 2.985736 -0.533469 1.339759
C 2.964847 -2.517943 -0.075333
C 0.833362 -1.685266 0.882128
C -0.176265 -1.900674 -0.269457
C -0.290622 -0.643546 -1.161696
C -2.193929 0.429070 0.067667
C -0.224112 1.794497 -0.523961
C -2.621477 1.258985 1.146307
C -0.408773 2.768428 0.495086
C -3.134623 -0.481182 -0.478681
C 0.596975 2.142645 -1.630592
C -4.445264 -0.559945 0.042710
C -3.942443 1.205725 1.631165
C 0.194979 4.038373 0.418921
C -4.864702 0.282248 1.095595
C 1.235109 3.400087 -1.691089
C 1.039009 4.355793 -0.669956
C -5.382589 -1.590300 -0.509989
H 6.392592 -0.251346 -1.216880
H 8.253196 0.121831 0.473434
H 7.282468 -0.803602 1.744815
H 7.263741 -2.866967 0.289677
H 8.236011 -1.992451 -1.016236
H 4.044797 0.616881 -0.164360
H 4.910180 0.484296 1.408931
H 4.877899 -2.950640 -1.024220
H 4.032989 -1.497044 -1.667567
H 2.392671 0.351565 1.635287
H 3.232688 -1.114787 2.263300
H 3.205010 -3.199387 0.779797
H 2.366157 -3.090006 -0.808006
H 0.476270 -0.844830 1.506479
H 0.847782 -2.592800 1.534499
H -1.154458 -2.189139 0.157841
H 0.145756 -2.741674 -0.914683
H 0.742907 -0.378732 -1.436512
H -0.853366 -0.863322 -2.092561
H -2.854789 -1.122317 -1.317879
H 0.729205 1.436557 -2.454967
H -4.243286 1.873753 2.444093
H 0.015594 4.768707 1.215061
H -5.884932 0.224207 1.483714
H 1.872176 3.636236 -2.550259
H 1.525046 5.335190 -0.719607


