%chk=000017415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017415

0 1
 S   5.0700001E-02  -1.889800     -8.5800000E-02
 N  -0.3794000      0.6223000      0.3096000    
 N   -2.302300     -0.7730000      0.2963000    
 N   -4.534400     -2.4800001E-02  1.1100000E-02
 N   -2.856800       1.411600     -0.5638000    
 C    1.420500     -0.8427000     -6.8899997E-02
 C   0.9909000      0.4685000      0.1566000    
 C    2.777600      -1.158800     -0.2432000    
 C    1.955700       1.498200      0.2086000    
 C  -0.9678000     -0.5459000      0.2006000    
 C    3.711800     -0.1213000     -0.1869000    
 C    3.308400       1.190700      3.5999998E-02
 C   -3.175000      0.1648000     -7.0000000E-02
 H    3.099900      -2.180700     -0.4177000    
 H    1.651300       2.526600      0.3821000    
 H    4.767200     -0.3444000     -0.3192000    
 H    4.049200       1.984500      7.6499999E-02
 H   -4.921900     -0.8960000      0.3565000    
 H   -5.188200      0.6969000     -0.2719000    
 H   -3.582000       2.072600     -0.8208000    
 H   -1.897200       1.712800     -0.6919000    


%chk=000017415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017415

0 1
S 0.065537 -2.041733 -0.000738
N -0.392858 0.619608 -0.095234
N -2.393959 -0.783401 -0.064192
N -4.600060 -0.068683 -0.108329
N -2.873474 1.566675 -0.150176
C 1.468002 -0.893362 -0.028406
C 1.001776 0.463671 -0.078221
C 2.841196 -1.199836 -0.007135
C 1.945005 1.519420 -0.106228
C -1.052244 -0.555398 -0.060676
C 3.769119 -0.132299 -0.035836
C 3.321414 1.214226 -0.084861
C -3.258304 0.252257 -0.107693
H 3.189764 -2.236786 0.030707
H 1.591658 2.554725 -0.144110
H 4.842374 -0.350490 -0.019919
H 4.055799 2.026993 -0.106403
H -4.833074 -1.058130 -0.075216
H -5.336725 0.629805 -0.135183
H -3.537131 2.337497 -0.182334
H -1.835617 1.707342 -0.146017


