%chk=000021178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021178

0 1
 S    3.491900       1.773400     -0.6443000    
 N  -0.4415000      -2.531200      0.2815000    
 N   -3.765200       2.319400     -4.8000000E-02
 C   -2.145100      0.6526000      0.8245000    
 C   -1.230200     -0.4736000      0.5483000    
 C   0.1426000     -0.3803000      0.1854000    
 C   -2.911800       1.185900     -0.4164000    
 C   0.6135000      -1.685100      2.4000000E-02
 C   -1.560000      -1.808500      0.5991000    
 C    1.032500      0.6924000     -2.1800000E-02
 C   -3.790100      0.1101000      -1.055300    
 C    1.935200      -1.972000     -0.3356000    
 C    2.357400      0.4205000     -0.3820000    
 C    2.799600     -0.8920000     -0.5359000    
 C    3.471200       2.588300      0.9768000    
 H   -2.870500      0.3463000       1.591400    
 H   -1.576900       1.478200       1.274000    
 H   -2.186500       1.531000      -1.163600    
 H   -2.488400      -2.310600      0.8333000    
 H  -0.3960000      -3.540100      0.2416000    
 H   0.6788000       1.713700      9.1499999E-02
 H   -4.384300      0.5264000      -1.877400    
 H   -4.483900     -0.3275000     -0.3289000    
 H   -3.186800     -0.6959000      -1.484100    
 H    2.280200      -2.993500     -0.4555000    
 H   -4.208400       2.701400     -0.8826000    
 H   -3.190700       3.066700      0.3396000    
 H    3.830400      -1.100900     -0.8154000    
 H    4.211300       3.392900      0.9820000    
 H    3.725800       1.874600       1.764900    
 H    2.488600       3.021000       1.181200    


%chk=000021178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021178

0 1
S 3.126271 2.161715 -0.769036
N -0.361388 -2.584946 0.485788
N -3.872546 2.287358 -0.085916
C -2.450296 0.515461 0.852140
C -1.402955 -0.547683 0.641571
C -0.015797 -0.341084 0.251086
C -2.973479 1.171653 -0.461861
C 0.611776 -1.635334 0.161660
C -1.568763 -1.926181 0.775273
C 0.759109 0.818333 -0.019779
C -3.756744 0.170265 -1.330913
C 1.969322 -1.793486 -0.196806
C 2.113620 0.665194 -0.371992
C 2.712643 -0.627822 -0.467565
C 4.024018 2.381423 0.883861
H -3.326901 0.108163 1.389504
H -2.035030 1.321424 1.493821
H -2.083467 1.511298 -1.047231
H -2.458559 -2.485488 1.059687
H -0.216930 -3.591312 0.518892
H 0.321647 1.820190 0.041806
H -4.099298 0.643554 -2.271207
H -4.646672 -0.186396 -0.780338
H -3.125400 -0.695257 -1.596375
H 2.436004 -2.781892 -0.272698
H -4.375829 2.699855 -0.878639
H -3.425825 3.005190 0.495646
H 3.762493 -0.704561 -0.769298
H 4.693355 3.248277 0.762887
H 4.613894 1.480730 1.113336
H 3.294428 2.574957 1.684998


