%chk=000013904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013904

0 1
 S   -1.011500      -2.931400      0.4419000    
 N    1.726900       1.248200      4.5299999E-02
 N  -0.6039000       1.481900     -7.4699998E-02
 N   0.4002000     -0.6767000      0.2261000    
 N   -2.940200       1.651900     -0.1887000    
 N   -1.987500     -0.4703000      0.1064000    
 C    2.957400      0.5000000      0.1862000    
 C    4.067500       1.440000      0.6370000    
 C    3.300500     -0.1689000      -1.138600    
 C   0.4708000      0.6676000      6.6399999E-02
 C   -1.787700      0.8489000     -4.5200001E-02
 C  -0.8487000      -1.169900      0.2361000    
 C   -4.265100       1.115400     -0.1784000    
 C   0.5212000      -3.536600     -0.3198000    
 H    2.848700     -0.2686000      0.9618000    
 H    1.767800       2.246700     -0.1243000    
 H    5.008500      0.8966000      0.7728000    
 H    4.238900       2.237700     -9.4800003E-02
 H    3.811400       1.916300       1.589900    
 H    2.529000     -0.8819000      -1.446400    
 H    4.245200     -0.7178000      -1.061700    
 H    3.403800      0.5696000      -1.941800    
 H   -2.795700       2.648000     -0.3040000    
 H   -4.411800      0.4038000     -0.9975000    
 H   -4.993300       1.922500     -0.3053000    
 H   -4.484100      0.6167000      0.7714000    
 H   0.5045000      -4.629600     -0.3353000    
 H    1.392400      -3.212500      0.2560000    
 H   0.6063000      -3.174900      -1.348200    


%chk=000013904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013904

0 1
S -1.164016 -3.016339 -0.003468
N 1.698817 1.214629 0.018509
N -0.618160 1.497675 -0.057835
N 0.371185 -0.738848 -0.007090
N -2.947540 1.686277 -0.121615
N -2.049102 -0.487918 -0.065236
C 2.971851 0.462204 0.021188
C 4.055755 1.314811 0.710854
C 3.381287 0.047363 -1.412877
C 0.454433 0.643759 -0.019550
C -1.844410 0.876087 -0.080635
C -0.900542 -1.216416 -0.026180
C -4.321229 1.175477 -0.148634
C 0.612295 -3.629509 0.057324
H 2.791738 -0.457233 0.606999
H 1.716410 2.235813 -0.019952
H 5.011105 0.762696 0.743909
H 4.234679 2.256691 0.155796
H 3.765372 1.568886 1.745823
H 2.582218 -0.556979 -1.875292
H 4.307691 -0.556181 -1.392066
H 3.561647 0.937213 -2.044431
H -2.759983 2.688536 -0.130375
H -4.493091 0.540149 -1.035653
H -5.016643 2.030693 -0.175505
H -4.535501 0.561243 0.743962
H 0.542884 -4.728883 0.050554
H 1.099737 -3.273413 0.975515
H 1.162614 -3.265782 -0.821442


