%chk=000097404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097404

0 1
 S    2.892000       2.014500       1.299100    
 F   -4.273200       1.469100     -0.4073000    
 O   -1.869900      0.4740000      -1.772600    
 O   -3.188100      -1.897500       1.943800    
 N  -0.3594000      3.8000001E-03 -0.1049000    
 N   -2.599300     -0.7226000      7.3299997E-02
 N   -2.241500      -1.331500       1.386600    
 C   0.7506000      0.6650000     -0.7574000    
 C   0.7595000       2.164200     -0.4438000    
 C    2.047700     -4.8000000E-02 -0.4476000    
 C    1.162900       2.464800      0.9903000    
 C    3.016700      0.4495000      0.4411000    
 C    2.276900      -1.290000      -1.074100    
 C    4.188400     -0.2935000      0.6704000    
 C   -1.626700     -4.4399999E-02 -0.6782000    
 C    3.440500      -2.018700     -0.8340000    
 C    4.397600      -1.519000      3.8800001E-02
 C   -3.970400     -0.8546000     -0.4031000    
 C   -4.804100      0.3150000      7.9599999E-02
 H   0.5916000      0.5870000      -1.842000    
 H  -0.2378000       2.585500     -0.6235000    
 H    1.438700       2.683100      -1.133800    
 H    1.054500       3.535600       1.190400    
 H   0.5224000       1.934100       1.702300    
 H  -0.1983000     -0.3783000      0.8203000    
 H    1.537900      -1.698400      -1.760600    
 H    4.957400      7.3899999E-02   1.347600    
 H    3.597000      -2.972800      -1.328100    
 H    5.307600      -2.080200      0.2293000    
 H   -3.953300     -0.8467000      -1.498900    
 H   -4.401100      -1.812200     -9.3800001E-02
 H   -5.832400      0.2386000     -0.2846000    
 H   -4.819200      0.3881000       1.170900    


%chk=000097404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097404

0 1
S 2.700575 1.993966 1.424068
F -4.389482 1.634079 0.495501
O -1.912555 0.635380 -1.856550
O -3.124539 -2.103456 1.637266
N -0.346492 -0.047279 -0.254456
N -2.625124 -0.694153 -0.041685
N -2.189461 -1.474874 1.026334
C 0.817240 0.597729 -0.924240
C 0.812821 2.127992 -0.691162
C 2.099083 -0.101528 -0.472142
C 0.994102 2.500162 0.782712
C 2.964170 0.414557 0.531669
C 2.437278 -1.335681 -1.086748
C 4.139479 -0.298476 0.888646
C -1.599312 0.029108 -0.796160
C 3.598319 -2.049691 -0.731323
C 4.454987 -1.520536 0.264296
C -4.045671 -0.596548 -0.433399
C -4.872002 0.254923 0.536496
H 0.684323 0.432417 -2.010351
H -0.151432 2.528893 -1.055103
H 1.615654 2.585453 -1.299492
H 0.958946 3.591125 0.932128
H 0.226201 2.025399 1.416010
H -0.209702 -0.614118 0.588152
H 1.768635 -1.731820 -1.861520
H 4.801589 0.107300 1.661971
H 3.836361 -2.998766 -1.222373
H 5.364892 -2.056997 0.554970
H -4.057854 -0.153773 -1.442077
H -4.470811 -1.617455 -0.460488
H -5.929274 0.265949 0.215415
H -4.785745 -0.091881 1.579134


