%chk=000021497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021497

0 1
 S    2.437500      -1.119100      0.3173000    
 N  -0.2060000      -1.375400      5.5300001E-02
 N   0.6554000      0.8616000      0.1629000    
 N   -1.704200      0.4947000     -7.2999999E-02
 N   -2.516200      -1.703200     -0.1761000    
 N  -0.8323000       2.669500      3.4200002E-02
 C   0.7844000     -0.4749000      0.1618000    
 C   -1.422400     -0.8183000     -5.8699999E-02
 C  -0.6168000       1.274000      4.1900001E-02
 C    3.420600      0.1910000     -0.4655000    
 H   -2.351700      -2.700300     -0.1705000    
 H   -3.450900      -1.329100     -0.2646000    
 H  -4.2599998E-02   3.294700      0.1173000    
 H   -1.773500       3.026500     -5.5700000E-02
 H    3.368500       1.113800      0.1185000    
 H    3.066500      0.3795000      -1.482700    
 H    4.465200     -0.1281000     -0.5141000    


%chk=000021497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021497

0 1
S 2.425965 -1.272429 -0.251646
N -0.246946 -1.422149 -0.106310
N 0.662645 0.831992 -0.158456
N -1.758466 0.500205 -0.024738
N -2.568956 -1.699496 0.020755
N -0.821456 2.646019 -0.076843
C 0.774343 -0.524450 -0.164618
C -1.497718 -0.847724 -0.038131
C -0.639385 1.287543 -0.086483
C 3.501760 0.269189 -0.316328
H -2.400254 -2.702141 0.011460
H -3.508724 -1.315548 0.072005
H -0.008583 3.254597 -0.121574
H -1.765777 3.018996 -0.025188
H 3.346855 0.869599 0.590523
H 3.248723 0.863543 -1.204869
H 4.537470 -0.100846 -0.371261


