%chk=000105453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105453

0 1
 S   -1.099900      0.1010000     -0.6665000    
 F   0.3901000      -1.150500       1.047100    
 F   0.7661000      -1.662300      -1.037700    
 F    1.659300      0.9274000      -1.491200    
 F    1.347300       1.392300      0.6164000    
 F    2.907100     -0.7489000       1.344100    
 F    3.220000      -1.258400     -0.7488000    
 F    4.235300       1.326500      -1.152200    
 F    3.908400       1.726300      0.9620000    
 F    6.485300       1.073800      0.3778000    
 F    5.493200     -0.3861000       1.645500    
 F    5.846800     -0.8398000     -0.4582000    
 O   -1.016400      0.4897000      -2.062100    
 O   -1.446500       1.083500      0.3434000    
 O   -4.632300     -0.2271000      0.4836000    
 O   -6.832600     -0.8882000      0.6248000    
 N   -2.161100      -1.240400     -0.5257000    
 C   0.4722000     -0.6295000     -0.2049000    
 C    1.612400      0.3811000     -0.2501000    
 C    2.970900     -0.2178000      8.9599997E-02
 C    4.160600      0.7295000      6.6000000E-02
 C   -2.687500      -1.593400      0.8152000    
 C   -1.908400      -2.437600      -1.363600    
 C    5.509400      0.1442000      0.4011000    
 C   -4.204400      -1.546900      0.7950000    
 C   -5.982200     -3.1399999E-02  0.4295000    
 C   -6.276300       1.389700      9.3900003E-02
 C   -5.323400       2.180400     -0.7493000    
 C   -7.413400       1.913100      0.5752000    
 H   -2.339600      -2.587800       1.116600    
 H   -2.316500     -0.8905000       1.567900    
 H   -1.530100      -2.147800      -2.347800    
 H   -2.845800      -2.978500      -1.525900    
 H   -1.191600      -3.109700     -0.8839000    
 H   -4.588600      -1.829200       1.782000    
 H   -4.600800      -2.244200      4.7699999E-02
 H   -4.381700       2.344600     -0.2156000    
 H   -5.106800       1.646200      -1.680300    
 H   -5.730000       3.161100      -1.018100    
 H   -7.686100       2.943000      0.3676000    
 H   -8.099700       1.339500       1.189700    


%chk=000105453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105453

0 1
S -1.397476 -0.094703 -1.160158
F 0.382571 -1.927933 0.099002
F 0.967373 -1.486146 -2.065275
F 1.537067 1.260959 -1.197594
F 1.252289 0.498309 0.958269
F 3.168875 -1.691539 0.099549
F 3.628899 -0.306678 -1.657557
F 3.732320 1.864626 0.500393
F 3.902199 0.082568 1.926433
F 6.368823 0.927135 1.295583
F 5.984748 -0.962895 0.096874
F 5.931375 1.071617 -0.920527
O -1.675052 -0.329574 -2.733017
O -1.439578 1.361304 -0.456783
O -4.640867 0.155435 1.309275
O -5.770964 -1.240849 -0.187848
N -2.512146 -1.174461 -0.223867
C 0.587625 -0.909671 -0.854901
C 1.622664 0.128152 -0.359700
C 3.129238 -0.344683 -0.335635
C 4.083062 0.499387 0.591103
C -2.473948 -1.009659 1.241278
C -2.817721 -2.483301 -0.829780
C 5.616784 0.380867 0.251219
C -3.900536 -1.008228 1.827573
C -5.506466 -0.082582 0.221912
C -6.039682 1.206502 -0.321430
C -5.467340 2.508016 0.199027
C -7.001589 1.122073 -1.282596
H -1.884689 -1.816971 1.725195
H -2.003935 -0.036387 1.470236
H -2.681085 -2.419453 -1.922574
H -3.888047 -2.686882 -0.644866
H -2.189216 -3.297116 -0.417920
H -3.841636 -0.869145 2.919654
H -4.450408 -1.935440 1.590540
H -5.623858 2.606515 1.287879
H -4.375413 2.549887 0.032270
H -5.936376 3.368628 -0.306647
H -7.430621 2.021338 -1.737084
H -7.364565 0.147877 -1.627704


