%chk=000069770.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069770

0 1
 O   -5.500600      -1.022500      0.2322000    
 O   -3.840000      -2.420400     -9.5299996E-02
 N   0.2306000      0.4476000     -0.5388000    
 N   0.8208000      0.3110000      0.5586000    
 N   -4.283000      -1.253900      3.6600001E-02
 N    6.273100     -0.6173000     -0.3075000    
 C   -1.138300      0.6808000     -0.3223000    
 C   -3.378500     -0.1617000     -3.8300000E-02
 C    2.182900      7.8699999E-02  0.3437000    
 C   -2.019900     -0.3936000     -0.2526000    
 C   -1.602400       1.985000     -0.1801000    
 C    4.900000     -0.3840000     -8.7700002E-02
 C   -3.849000       1.143600      0.1049000    
 C    3.070400       1.152400      0.2725000    
 C    2.653800      -1.226300      0.1994000    
 C   -2.961000       2.217000      3.4000002E-02
 C    4.428900      0.9210000      5.6699999E-02
 C    4.012400      -1.457600     -1.6200000E-02
 H   -1.626100      -1.400800     -0.3683000    
 H  -0.9176000       2.827000     -0.2348000    
 H   -4.900400       1.362400      0.2732000    
 H    2.713100       2.172800      0.3841000    
 H    1.970000      -2.069400      0.2539000    
 H   -3.327000       3.233500      0.1455000    
 H    5.110500       1.766100      2.7000001E-03
 H    4.367000      -2.479100     -0.1273000    
 H    6.615900      -1.563300     -0.4098000    
 H    6.917300      0.1608000     -0.3570000    


%chk=000069770-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000069770

0 1
O -5.320169 0.046776 1.931121
O -3.335753 -0.562038 2.871874
N 0.161262 0.496131 -0.788723
N 0.814036 0.016636 0.248294
N -4.035806 -0.090747 1.896187
N 6.430161 -0.501408 -0.038639
C -1.255658 0.576940 -0.587835
C -3.324495 0.320189 0.653931
C 2.215492 -0.079802 0.091869
C -1.927798 0.183119 0.601411
C -2.004193 1.092328 -1.680345
C 5.050569 -0.365517 0.009011
C -4.088733 0.831886 -0.422506
C 2.927601 -0.597123 1.212060
C 2.946161 0.295204 -1.078843
C -3.407648 1.217542 -1.595289
C 4.320281 -0.740261 1.178691
C 4.335160 0.155115 -1.119769
H -1.363376 -0.215203 1.448104
H -1.459181 1.386916 -2.582942
H -5.173656 0.915329 -0.322504
H 2.352226 -0.879342 2.099948
H 2.391357 0.691916 -1.934668
H -3.972240 1.616267 -2.444020
H 4.854748 -1.139727 2.048447
H 4.892015 0.443842 -2.019878
H 6.953479 -0.236065 -0.868842
H 6.947059 -0.869103 0.755854


