%chk=000168063.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168063

0 1
 S   -1.834100       1.952800     -0.5053000    
 O   -1.314300     -0.5997000      0.1409000    
 N   -3.600300     -7.4400000E-02  0.1248000    
 N    4.183400      8.7099999E-02 -0.3376000    
 C    2.789100     -8.7399997E-02 -0.2159000    
 C   8.6400002E-02 -0.4247000      1.9099999E-02
 C    2.037000     -0.4823000      -1.322100    
 C    2.162400      0.1356000       1.010200    
 C   0.6580000     -0.6544000      -1.202100    
 C   0.7834000     -3.6600001E-02   1.130000    
 C   -2.292400      0.3948000     -7.0000000E-02
 C   -3.877100      -1.458900      0.5067000    
 C   -4.795400      0.7563000     -3.2800000E-02
 C    5.013800      0.4918000      0.7542000    
 H    2.513100     -0.6595000      -2.283100    
 H    2.710700      0.4436000       1.895500    
 H   6.9499999E-02 -0.9633000      -2.059600    
 H   0.2919000      0.1338000       2.082000    
 H    4.604200     -8.4299996E-02  -1.243800    
 H   -2.974000      -2.060600      0.6216000    
 H   -4.503800      -1.914600     -0.2658000    
 H   -4.417600      -1.456500       1.458000    
 H   -5.429600      0.3102000     -0.8050000    
 H   -4.570900       1.784100     -0.3189000    
 H   -5.337500      0.7695000      0.9177000    
 H    4.986300     -0.2345000       1.573200    
 H    4.732100       1.480700       1.130700    
 H    6.053400      0.5587000      0.4168000    


%chk=000168063-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168063

0 1
S -1.991104 1.880089 -0.881706
O -1.388382 -0.542076 0.294630
N -3.616588 -0.134795 0.074148
N 4.193410 0.112659 -0.358423
C 2.813618 -0.019642 -0.190004
C 0.008924 -0.291303 0.098916
C 1.974294 -0.224203 -1.329384
C 2.206728 0.039789 1.099534
C 0.583562 -0.360187 -1.187846
C 0.808699 -0.094511 1.236850
C -2.359766 0.372890 -0.162786
C -3.860932 -1.438136 0.724228
C -4.824489 0.632395 -0.267467
C 5.124445 0.340002 0.741595
H 2.422501 -0.271804 -2.329727
H 2.818432 0.194895 1.993001
H -0.053515 -0.507818 -2.064576
H 0.337556 -0.043609 2.223566
H 4.559470 0.086663 -1.307506
H -2.912788 -1.967394 0.875350
H -4.526737 -2.051255 0.087598
H -4.354302 -1.289080 1.704568
H -5.474125 0.034952 -0.934979
H -4.528151 1.562203 -0.775884
H -5.392030 0.882954 0.649671
H 5.104030 -0.489388 1.478263
H 4.905160 1.282406 1.285430
H 6.149781 0.410604 0.342340


