%chk=000012896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012896

0 1
 O   -5.733300       1.097500      0.2472000    
 O   -5.733000      -1.097600      0.2470000    
 N   0.4269000       0.000000     -0.5868000    
 N    1.008400     -1.9999999E-04  0.5237000    
 N   -5.130500       0.000000      0.1653000    
 N    6.556300      6.0000003E-04 -0.2255000    
 C  -0.9660000     -9.9999997E-05 -0.3997000    
 C    2.394400     -3.0000001E-04  0.3380000    
 C   -3.723700      3.0000001E-04 -2.6200000E-02
 C   -1.650100       1.207900     -0.3077000    
 C   -1.650400      -1.208100     -0.3063000    
 C    5.159100       0.000000     -3.5100002E-02
 C   -3.032400       1.208100     -0.1204000    
 C   -3.032700      -1.207700     -0.1192000    
 C    3.085500       1.207800      0.2455000    
 C    3.085600      -1.208200      0.2440000    
 C    4.467800       1.207900      5.8800001E-02
 C    4.468000      -1.208100      5.7599999E-02
 H   -1.119000       2.153300     -0.3805000    
 H   -1.119500      -2.153500     -0.3782000    
 H   -3.537600       2.168200     -5.2499998E-02
 H   -3.537900      -2.167700     -5.0099999E-02
 H    2.555800       2.154100      0.3179000    
 H    2.555900      -2.154700      0.3154000    
 H    4.995000       2.155900     -1.2100000E-02
 H    4.995200      -2.155900     -1.4300000E-02
 H    7.058700     -0.8746000     -0.2915000    
 H    7.058000      0.8763000     -0.2906000    


%chk=000012896-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012896

0 1
O -6.046848 0.008713 -0.921565
O -5.794247 -0.071257 1.346216
N 0.342885 0.022822 -0.605428
N 1.102675 -0.009117 0.473267
N -5.314166 -0.025989 0.144920
N 6.710922 0.014964 -0.159296
C -1.056714 0.009170 -0.323950
C 2.492181 -0.000368 0.227196
C -3.846600 -0.013359 -0.018033
C -1.904705 0.044976 -1.466638
C -1.631908 -0.038303 0.982582
C 5.331460 0.009946 -0.026947
C -3.301486 0.034375 -1.322303
C -3.024891 -0.049739 1.136578
C 3.327090 -0.031629 1.382451
C 3.103225 0.036510 -1.066641
C 4.721801 -0.026708 1.265738
C 4.493283 0.041618 -1.191095
H -1.436118 0.080787 -2.454856
H -0.963150 -0.065466 1.847212
H -3.973416 0.061407 -2.183685
H -3.496832 -0.086233 2.122098
H 2.842824 -0.059562 2.364143
H 2.454622 0.060405 -1.947626
H 5.351294 -0.050926 2.162809
H 4.957697 0.070231 -2.184498
H 7.148113 0.041305 -1.076954
H 7.315510 -0.007371 0.658005


