%chk=000035565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035565

0 1
 S    3.324300      -1.096200      0.3919000    
 S   -1.793900      -2.514000     -3.7400000E-02
 S  -0.4612000       2.643200      0.1112000    
 N   0.7250000      -1.657700      0.1707000    
 N    1.325000      0.6647000      0.2378000    
 N  -0.9798000      2.6000001E-02  4.3299999E-02
 C    4.141200      0.3057000     -0.4226000    
 C   -3.315400      -1.530900     -0.1570000    
 C   -2.266600       2.527900     -3.9999999E-02
 C    1.606800     -0.6481000      0.2510000    
 C  -0.5489000      -1.245500      6.8899997E-02
 C   1.2200000E-02  0.9265000      0.1317000    
 C    5.647000      0.1234000     -0.4139000    
 C   -4.528100      -2.436200     -0.2592000    
 C   -2.887600       3.911300     -7.6399997E-02
 H    3.782800      0.3846000      -1.454000    
 H    3.892000       1.234000      0.1014000    
 H   -3.412800     -0.8957000      0.7295000    
 H   -3.268700     -0.8884000      -1.042400    
 H   -2.524500       1.991900     -0.9593000    
 H   -2.671800       1.972500      0.8123000    
 H    6.039600      6.7599997E-02  0.6072000    
 H    5.945300     -0.7829000     -0.9519000    
 H    6.128600      0.9742000     -0.9073000    
 H   -4.481800      -3.071600      -1.150200    
 H   -4.625700      -3.078800      0.6224000    
 H   -5.439100      -1.832700     -0.3308000    
 H   -2.673900       4.472300      0.8399000    
 H   -2.526800       4.491700     -0.9324000    
 H   -3.975800       3.829300     -0.1676000    


%chk=000035565-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035565

0 1
S 3.332325 -1.255028 -0.191058
S -1.841160 -2.629506 -0.080371
S -0.398016 2.675479 -0.158876
N 0.685921 -1.727961 -0.136097
N 1.323708 0.615864 -0.171974
N -1.025798 -0.001974 -0.121483
C 4.228657 0.424483 -0.229237
C -3.458598 -1.628442 -0.061714
C -2.299201 2.636491 -0.120736
C 1.610969 -0.720846 -0.163654
C -0.610785 -1.308923 -0.116415
C -0.010022 0.910770 -0.149916
C 5.740757 0.165840 -0.250799
C -4.635083 -2.613409 -0.043956
C -2.812100 4.082671 -0.122344
H 3.876979 0.959760 -1.124376
H 3.906612 0.984833 0.661619
H -3.434518 -0.984464 0.831066
H -3.457565 -0.988988 -0.958016
H -2.631599 2.069676 -1.004152
H -2.595928 2.084298 0.784380
H 6.074298 -0.383984 0.647146
H 6.044237 -0.410132 -1.142975
H 6.276222 1.132646 -0.273884
H -4.636515 -3.262373 -0.937559
H -4.613117 -3.258589 0.852148
H -5.586488 -2.050546 -0.032541
H -2.457018 4.641865 0.761335
H -2.492450 4.627377 -1.028320
H -3.917326 4.081213 -0.100440


