%chk=000029372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029372

0 1
 S    1.755400      -1.998400      0.5817000    
 S    3.744400     -0.1080000     -0.5212000    
 N   -2.461100     -0.3748000      8.7800004E-02
 N    1.151900      0.6057000      0.1142000    
 C   -1.144800     -8.0499999E-02 -0.4638000    
 C  -0.1872000      0.3324000      0.6443000    
 C   -3.377900     -0.8096000     -0.9678000    
 C   -3.004100      0.7955000      0.7805000    
 C    1.352500       2.000600     -0.2872000    
 C    2.170900     -0.3630000      3.1500001E-02
 H   -1.203400      0.7060000      -1.227800    
 H  -0.7512000     -0.9717000     -0.9678000    
 H  -0.1483000     -0.4262000       1.431600    
 H  -0.5055000       1.255400       1.141600    
 H   -2.990000      -1.702400      -1.470900    
 H   -3.539300     -3.0700000E-02  -1.722000    
 H   -4.349500      -1.087800     -0.5445000    
 H   -2.495600      0.9803000       1.731600    
 H   -4.052700      0.6237000       1.053200    
 H   -2.966900       1.702200      0.1655000    
 H    1.374900       2.618600      0.6159000    
 H   0.5195000       2.318000     -0.9216000    
 H    2.276900       2.161500     -0.8421000    
 H    2.952400      -2.554100      0.3444000    


%chk=000029372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029372

0 1
S 1.656993 -2.089022 0.317179
S 3.738054 0.026568 -0.629457
N -2.513137 -0.199022 0.079813
N 1.214047 0.599019 0.239239
C -1.153306 0.055435 -0.438755
C -0.148939 0.265058 0.724669
C -3.327387 -1.061089 -0.801367
C -3.229833 1.029554 0.475178
C 1.510601 2.022583 -0.042876
C 2.180988 -0.332181 -0.029806
H -1.118019 0.938195 -1.126798
H -0.824589 -0.822995 -1.022167
H -0.119636 -0.647512 1.343508
H -0.482789 1.086892 1.382641
H -2.791653 -2.006385 -0.996068
H -3.573300 -0.589928 -1.786230
H -4.279173 -1.307990 -0.297232
H -2.639426 1.605063 1.209770
H -4.186659 0.760975 0.957048
H -3.454957 1.703240 -0.390792
H 2.361533 2.365286 0.572103
H 0.615445 2.622559 0.186413
H 1.792845 2.158166 -1.101809
H 2.893597 -2.589770 -0.037102


