%chk=000123574.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123574

0 1
 O   3.0099999E-02  -2.682500      5.0000002E-04
 O  -3.0099999E-02   2.682600      9.9999997E-05
 N   -1.162900     -0.7294000     -9.9999997E-05
 N    1.163000      0.7295000     -3.0000001E-04
 C   -1.255300      0.6383000     -3.0000001E-04
 C    1.255300     -0.6381000     -1.9999999E-04
 C   9.3000000E-03  -1.453400     -9.9999997E-05
 C  -9.3999999E-03   1.453500     -3.9999999E-04
 C   -2.443100       1.257800       0.000000    
 C    2.443000      -1.257700      3.9999999E-04
 C   -3.757000      0.5955000       0.000000    
 C    3.757100     -0.5955000      1.9999999E-04
 C   -4.375300      0.3097000      -1.207700    
 C    4.375400     -0.3103000      -1.207600    
 C   -4.354200      0.2681000       1.207800    
 C    4.354100     -0.2676000       1.207900    
 C   -5.620700     -0.3186000      -1.207700    
 C    5.620800      0.3179000      -1.207900    
 C   -5.599500     -0.3603000       1.207800    
 C    5.599500      0.3607000       1.207800    
 C   -6.232700     -0.6535000       0.000000    
 C    6.232800      0.6534000     -1.9999999E-04
 H   -2.025600      -1.266300     -9.9999997E-05
 H    2.025700       1.266400     -3.0000001E-04
 H   -2.506600       2.343800     -1.4000000E-03
 H    2.506500      -2.343700     -6.9999998E-04
 H   -3.908700      0.5656000      -2.155400    
 H    3.908900     -0.5666000      -2.155200    
 H   -3.871300      0.4913000       2.155600    
 H    3.871100     -0.4905000       2.155700    
 H   -6.113800     -0.5471000      -2.148000    
 H    6.114000      0.5459000      -2.148200    
 H   -6.076300     -0.6213000       2.148100    
 H    6.076100      0.6220000       2.148000    
 H   -7.202400      -1.142800       0.000000    
 H    7.202400       1.142600     -3.0000001E-04


%chk=000123574-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123574

0 1
O 0.221408 -2.729933 -0.266706
O -0.221170 2.729410 -0.264805
N -1.094770 -0.823310 -0.189528
N 1.095001 0.822725 -0.189180
C -1.341159 0.566307 -0.134200
C 1.341383 -0.566909 -0.134437
C 0.147714 -1.465876 -0.204830
C -0.147487 1.465280 -0.204430
C -2.591046 1.141704 -0.078935
C 2.591310 -1.142203 -0.079343
C -3.908896 0.504718 0.022575
C 3.908986 -0.504930 0.022281
C -5.037890 1.214290 -0.488930
C 5.038338 -1.214480 -0.488476
C -4.142959 -0.765727 0.635097
C 4.142451 0.765960 0.634077
C -6.333033 0.663711 -0.435287
C 6.333311 -0.663516 -0.434682
C -5.442364 -1.310850 0.695862
C 5.441685 1.311481 0.694975
C -6.542010 -0.607848 0.150514
C 6.541725 0.608441 0.150464
H -1.898174 -1.454217 -0.274900
H 1.898433 1.453677 -0.274051
H -2.569063 2.235546 -0.160643
H 2.569497 -2.236047 -0.161108
H -4.882198 2.200334 -0.942613
H 4.883068 -2.200823 -0.941655
H -3.327523 -1.298704 1.138055
H 3.326610 1.299090 1.136232
H -7.180168 1.224835 -0.844589
H 7.180746 -1.224639 -0.843365
H -5.599109 -2.280121 1.181871
H 5.597976 2.281118 1.180399
H -7.548731 -1.036916 0.196023
H 7.548310 1.037820 0.196067


