%chk=000093098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093098

0 1
 S   -2.915300       1.732700      0.2591000    
 N   -1.644600     -0.4981000     -4.2500000E-02
 N   -4.002300     -0.6743000     -5.7100002E-02
 N    4.819900     -0.5969000     -8.2300000E-02
 N   -3.927600      -1.991100     -0.4695000    
 C   0.7028000      0.2247000      4.4900000E-02
 C  -0.7050000      0.5049000      8.7300003E-02
 C    1.590900       1.184800     -0.4397000    
 C    1.182000      -1.008500      0.4870000    
 C    3.437300     -0.3213000     -4.0399998E-02
 C    2.958200      0.9119000     -0.4823000    
 C    2.549200      -1.281400      0.4444000    
 C   -1.201000       1.779400      0.2588000    
 C   -2.844600      3.3199999E-02  3.2600001E-02
 H    1.254600       2.150000     -0.8098000    
 H   0.5100000      -1.771100      0.8734000    
 H    3.640200       1.666700     -0.8656000    
 H    2.910600      -2.245500      0.7929000    
 H  -0.6813000       2.717900      0.3944000    
 H   -4.914600     -0.2300000     -3.5399999E-02
 H    5.167500      -1.491800      0.2357000    
 H    5.464100      9.7900003E-02 -0.4358000    
 H   -4.073500      -2.023500      -1.477900    
 H   -4.706600      -2.502700     -5.7100002E-02


%chk=000093098-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093098

0 1
S -3.129613 1.943471 -0.196413
N -1.741388 -0.358649 -0.082328
N -4.116835 -0.689711 -0.114829
N 4.772619 -0.770024 0.038025
N -4.055971 -2.103016 -0.050801
C 0.650251 0.335639 -0.065621
C -0.782298 0.687676 -0.104337
C 1.677582 1.319380 -0.065348
C 1.045330 -1.030161 -0.028388
C 3.423960 -0.410606 0.004313
C 3.035199 0.961732 -0.031514
C 2.400110 -1.401926 0.005639
C -1.320894 1.966842 -0.163193
C -2.979741 0.096534 -0.123072
H 1.417868 2.384001 -0.090792
H 0.261431 -1.793464 -0.027379
H 3.805679 1.742874 -0.031851
H 2.674245 -2.464034 0.033613
H -0.814843 2.928283 -0.193542
H -5.047532 -0.278823 -0.135854
H 5.050029 -1.746590 0.064225
H 5.501085 -0.062463 0.036421
H -3.569624 -2.482156 -0.876476
H -3.585750 -2.406907 0.814603


