%chk=000012865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012865

0 1
 O   0.2852000       2.019100     -0.1168000    
 O    2.226600      -2.108500     -0.7047000    
 N   2.7100001E-02  -1.434100     -0.3359000    
 N    1.608600      0.1284000     -0.4347000    
 C  -0.7263000     -0.2062000     -0.1306000    
 C   -1.314400     -0.1684000       1.285200    
 C   -1.694400      5.2999998E-03  -1.302700    
 C   -2.643400     -0.9063000       1.442600    
 C   -2.850600      0.9688000      -1.034500    
 C   -3.849900     -2.7300000E-02   1.120900    
 C   -4.041800      0.2945000     -0.3565000    
 C   0.4294000      0.8067000     -0.2207000    
 C    1.394400      -1.231200     -0.5137000    
 C    2.910000      0.7510000     -0.5750000    
 C    3.542800      0.8503000      0.7743000    
 C    4.696600      0.2581000       1.102600    
 H   -1.432200      0.8687000       1.625200    
 H  -0.5918000     -0.6168000       1.981900    
 H   -2.104300     -0.9598000      -1.629900    
 H   -1.132500      0.3851000      -2.167600    
 H   -2.734000      -1.210200       2.493400    
 H   -2.661600      -1.828500      0.8509000    
 H   -3.200300       1.343300      -2.005200    
 H   -2.519800       1.845700     -0.4673000    
 H   -3.788000      0.9075000       1.692000    
 H   -4.753500     -0.5396000       1.474900    
 H   -4.307300     -0.6218000     -0.8982000    
 H   -4.909400      0.9606000     -0.4444000    
 H  -0.3998000      -2.355300     -0.3469000    
 H    3.518200      0.1556000      -1.264500    
 H    2.785400       1.755700     -0.9922000    
 H    3.038800       1.453900       1.525100    
 H    5.109600      0.3743000       2.098600    
 H    5.245100     -0.3494000      0.3913000    


%chk=000012865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012865

0 1
O 0.268956 1.994000 0.076732
O 2.339851 -2.126236 -0.880224
N 0.090752 -1.545040 -0.339707
N 1.605807 0.113439 -0.451414
C -0.706304 -0.318763 -0.086268
C -1.364140 -0.306990 1.326009
C -1.707296 -0.096089 -1.265879
C -2.770781 -0.949420 1.439371
C -2.791387 0.987938 -1.041808
C -3.926858 0.033806 1.120280
C -4.073782 0.440061 -0.365298
C 0.411678 0.760541 -0.131516
C 1.432985 -1.310250 -0.586781
C 2.919495 0.773097 -0.582703
C 3.601220 0.972802 0.760297
C 4.782634 0.401929 1.097134
H -1.430835 0.748530 1.653493
H -0.656351 -0.806742 2.014696
H -2.207526 -1.065216 -1.467902
H -1.111502 0.134456 -2.169864
H -2.899782 -1.303337 2.480911
H -2.850501 -1.853515 0.800022
H -3.074473 1.398213 -2.030583
H -2.369913 1.834684 -0.467659
H -3.778430 0.945825 1.734574
H -4.883814 -0.414778 1.455163
H -4.426609 -0.436252 -0.949119
H -4.874132 1.203335 -0.438859
H -0.307274 -2.478774 -0.418388
H 3.536783 0.139565 -1.242294
H 2.743148 1.749114 -1.072188
H 3.079466 1.635272 1.465101
H 5.249877 0.583832 2.071531
H 5.311540 -0.269841 0.410039


