%chk=000040547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040547

0 1
 S    1.941500      -2.503700      0.5820000    
 F    5.489700       1.122600      5.2800000E-02
 N  -0.8563000      0.9248000      5.6899998E-02
 C  -0.4885000      -1.441200     -0.2112000    
 C  -1.5500000E-02 -0.1350000     -8.3499998E-02
 C    1.430200      0.1783000     -6.7900002E-02
 C   0.4349000      -2.604000     -0.4214000    
 C    2.398600     -0.8082000      0.2222000    
 C   -1.871700      -1.635000     -0.2177000    
 C   -2.746500     -0.5529000     -7.3700003E-02
 C   -2.187600      0.7286000      6.4099997E-02
 C    1.890700       1.485200     -0.3266000    
 C    3.762900     -0.4811000      0.2694000    
 C   -4.141700     -0.7247000     -6.7699999E-02
 C   -3.052500       1.810000      0.2078000    
 C    3.250900       1.801900     -0.2899000    
 C    4.185900      0.8197000      1.1000000E-02
 C   -4.985500      0.3726000      7.7299997E-02
 C   -4.439400       1.642300      0.2159000    
 H  -6.2399998E-02  -3.544100     -0.1602000    
 H   0.7103000      -2.659600      -1.480700    
 H   -2.270400      -2.641000     -0.3383000    
 H    1.192800       2.285200     -0.5659000    
 H    4.510700      -1.235500      0.5035000    
 H   -4.578300      -1.715200     -0.1753000    
 H   -2.648500       2.814900      0.3165000    
 H    3.576200       2.817800     -0.4938000    
 H   -6.062500      0.2367000      8.2199998E-02
 H   -5.089000       2.505100      0.3295000    


%chk=000040547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040547

0 1
S 1.947070 -2.556690 0.620011
F 5.538439 1.162584 0.183960
N -0.838666 0.937499 -0.022946
C -0.510316 -1.483548 -0.262805
C -0.010651 -0.126819 -0.143598
C 1.450490 0.156761 -0.119825
C 0.446954 -2.615389 -0.536803
C 2.422411 -0.831295 0.224725
C -1.886846 -1.696885 -0.186478
C -2.788223 -0.594910 -0.038951
C -2.205989 0.730236 0.016695
C 1.900579 1.483089 -0.370242
C 3.791751 -0.494957 0.332989
C -4.209578 -0.740287 0.035759
C -3.067803 1.867675 0.135276
C 3.257644 1.838285 -0.275869
C 4.172070 0.831468 0.083606
C -5.028074 0.386285 0.154415
C -4.452903 1.697310 0.202316
H -0.019887 -3.600020 -0.375896
H 0.844438 -2.568681 -1.565948
H -2.289985 -2.714478 -0.261458
H 1.140500 2.230075 -0.614919
H 4.545820 -1.243736 0.589902
H -4.647609 -1.744936 -0.004109
H -2.602302 2.857058 0.177168
H 3.605005 2.856972 -0.466389
H -6.116014 0.272537 0.211152
H -5.109327 2.569296 0.295564


