%chk=000017430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017430

0 1
 O   -5.406600     -0.2600000      0.2187000    
 N   8.3499998E-02 -8.9299999E-02 -0.5707000    
 N   0.6725000     -3.2400001E-02  0.5343000    
 N    6.212900      0.1347000     -0.2536000    
 C   -1.307100     -0.1321000     -0.3721000    
 C    2.056300      9.9999998E-03  0.3373000    
 C   -4.060200     -0.2180000      2.4800001E-02
 C    4.817200      9.2900001E-02 -5.5199999E-02
 C   -2.033400       1.053000     -0.3138000    
 C   -1.946800      -1.360100     -0.2335000    
 C   -3.413400       1.010000     -0.1148000    
 C   -3.326700      -1.403200     -3.4499999E-02
 C    2.704600       1.237200      0.1996000    
 C    2.788400      -1.176000      0.2788000    
 C    4.084900       1.278800      3.1999999E-03
 C    4.168800      -1.134500      8.2500003E-02
 C   -6.094700      0.9889000      0.2691000    
 H   -1.536500       2.013500     -0.4222000    
 H   -1.383000      -2.288000     -0.2789000    
 H   -3.921400       1.967700     -7.9000004E-02
 H   -3.824900      -2.362800      7.3500000E-02
 H    2.142800       2.166700      0.2445000    
 H    2.292300      -2.137200      0.3858000    
 H    4.578400       2.241500     -0.1027000    
 H    4.728100      -2.065500      3.8899999E-02
 H    6.683700       1.024300     -0.3528000    
 H    6.744300     -0.7248000     -0.2953000    
 H   -6.020600       1.527900     -0.6816000    
 H   -7.155100      0.7676000      0.4291000    
 H   -5.763500       1.596900       1.117900    


%chk=000017430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017430

0 1
O -5.602112 -0.252038 0.062549
N 0.039790 -0.611241 -0.019698
N 0.756635 0.492023 0.005552
N 6.401798 0.042894 -0.084798
C -1.371861 -0.400419 0.005696
C 2.162844 0.291320 -0.019821
C -4.200656 -0.226223 0.046736
C 5.013056 0.129777 -0.063275
C -2.013881 0.868709 0.052670
C -2.171284 -1.578283 -0.019373
C -3.417028 0.960426 0.073242
C -3.571691 -1.497285 0.001033
C 2.959935 1.469438 0.006820
C 2.816035 -0.977780 -0.069329
C 4.360864 1.398305 -0.014252
C 4.212482 -1.057215 -0.090705
C -6.308314 1.031290 0.104120
H -1.388967 1.767034 0.072435
H -1.662342 -2.547008 -0.054973
H -3.891997 1.945691 0.110468
H -4.199317 -2.393028 -0.018104
H 2.445717 2.435771 0.044422
H 2.196690 -1.879940 -0.090184
H 4.959828 2.316731 0.006990
H 4.707452 -2.035971 -0.129096
H 6.977739 0.879771 -0.064867
H 6.867261 -0.859624 -0.119845
H -6.075187 1.647720 -0.785556
H -7.376642 0.770088 0.104790
H -6.062047 1.596771 1.023653


