%chk=000074581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074581

0 1
 S    3.420800      0.7537000      0.2432000    
 N    1.732400      -1.109600     -0.3564000    
 C  -0.4263000      1.0500000E-02  2.6000000E-03
 C    1.010000      1.1000000E-02  1.5000000E-03
 C   -1.124300       1.191100     -0.2513000    
 C   -1.123100      -1.170600      0.2572000    
 C   -2.519200       1.190700     -0.2503000    
 C   -2.518000      -1.171200      0.2579000    
 C    1.749000       1.118600      0.3574000    
 C   -3.216000      9.4999997E-03  4.1000000E-03
 C    3.014600     -0.8338000     -0.2660000    
 H  -0.6177000       2.127300     -0.4716000    
 H  -0.6016000      -2.102400      0.4625000    
 H   -3.063200       2.108900     -0.4519000    
 H   -3.060900      -2.090600      0.4570000    
 H    1.425900       2.097300      0.6842000    
 H   -4.302100      8.9999996E-03  4.0000002E-03
 H    3.777600      -1.563900     -0.4986000    


%chk=000074581-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074581

0 1
S 3.594864 0.767080 -0.034097
N 1.741850 -1.142113 0.051654
C -0.443517 0.068525 0.009671
C 1.036228 0.085771 0.003586
C -1.208926 1.266040 -0.032113
C -1.126452 -1.177512 0.058370
C -2.617898 1.217627 -0.025724
C -2.536278 -1.223082 0.064679
C 1.862692 1.207005 -0.046979
C -3.289986 -0.027114 0.022646
C 3.045286 -0.977015 0.040634
H -0.709332 2.240815 -0.069603
H -0.531971 -2.095417 0.090795
H -3.193038 2.149780 -0.058250
H -3.046902 -2.191810 0.102624
H 1.582756 2.256581 -0.091370
H -4.385003 -0.062351 0.027492
H 3.783526 -1.777309 0.071484


