%chk=000015393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015393

0 1
 S    2.874500      -1.751300     -0.3936000    
 N   -6.046400     -0.1155000     -3.2200001E-02
 N    2.560700      0.7421000      0.1868000    
 C   -4.643900      3.0099999E-02  4.1999999E-03
 C   -1.889300      0.3170000      7.8699999E-02
 C   -3.831400      -1.087100      0.1977000    
 C   -4.069600       1.291600     -0.1516000    
 C   -2.444500     -0.9426000      0.2353000    
 C   -2.682700       1.436000     -0.1142000    
 C    4.296900     -0.7984000     -0.1892000    
 C    3.927400      0.5144000      0.1188000    
 C  -0.4240000      0.4688000      0.1182000    
 C    1.916100     -0.3735000     -6.4000003E-02
 C   0.5111000     -0.5234000     -8.3600000E-02
 C   -6.694900      -1.168100      0.7241000    
 C   -6.858500      0.7944000     -0.8156000    
 C    5.642900      -1.184800     -0.2940000    
 C    4.942900       1.472400      0.3290000    
 C    6.628000     -0.2171000     -8.1200004E-02
 C    6.284800       1.094800      0.2264000    
 H   -4.246600      -2.084000      0.3154000    
 H   -4.673600       2.183600     -0.2918000    
 H   -1.850700      -1.834700      0.4068000    
 H   -2.250000       2.425600     -0.2357000    
 H  -6.8300001E-02   1.479100      0.3151000    
 H   0.1416000      -1.521300     -0.3095000    
 H   -6.260700      -1.268700       1.725300    
 H   -6.616600      -2.126800      0.2008000    
 H   -7.761000     -0.9557000      0.8635000    
 H   -6.403400       1.000600      -1.791000    
 H   -7.007900       1.738900     -0.2820000    
 H   -7.848400      0.3686000      -1.014600    
 H    5.918300      -2.207200     -0.5337000    
 H    4.685900       2.500100      0.5697000    
 H    7.675900     -0.4953000     -0.1575000    
 H    7.064700       1.833700      0.3885000    


%chk=000015393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015393

0 1
S 3.093767 -2.005321 0.276369
N -6.136435 -0.029466 -0.008489
N 2.586965 0.633756 -0.058314
C -4.742751 0.030873 -0.012915
C -1.849562 0.144928 -0.017918
C -3.946459 -1.152983 0.153906
C -4.049125 1.273600 -0.182617
C -2.548304 -1.089574 0.150330
C -2.647907 1.316410 -0.182738
C 4.472851 -0.845111 0.137440
C 3.981201 0.496935 -0.033938
C -0.397475 0.263989 -0.028553
C 1.951084 -0.521251 0.083981
C 0.524792 -0.752769 0.106524
C -6.820589 -1.319155 0.159781
C -6.927488 1.197780 -0.174021
C 5.852360 -1.123257 0.179304
C 4.905779 1.563671 -0.163116
C 6.757212 -0.044670 0.048514
C 6.285615 1.285754 -0.121005
H -4.429489 -2.124759 0.288692
H -4.606778 2.204647 -0.314630
H -1.984696 -2.020078 0.282993
H -2.145551 2.282981 -0.314898
H 0.009654 1.276544 -0.158729
H 0.202999 -1.792117 0.237647
H -6.572410 -1.792935 1.130994
H -6.556695 -2.032442 -0.646807
H -7.909954 -1.162146 0.128933
H -6.731738 1.685047 -1.150716
H -6.711414 1.934960 0.625243
H -7.999701 0.951824 -0.126899
H 6.222284 -2.144931 0.309268
H 4.526426 2.581485 -0.292877
H 7.834518 -0.240654 0.078594
H 7.006315 2.104737 -0.220029


