%chk=000063356.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063356

0 1
 O  -0.8633000      -2.013300      0.1450000    
 O    5.703700     -0.4252000       1.198700    
 O    5.690900     -0.3777000     -0.9959000    
 N  -0.5065000      0.3150000      0.1763000    
 N   -2.390200       1.766400      0.1005000    
 N    5.093300     -0.3314000      0.1064000    
 C   0.9208000      0.1505000      0.1422000    
 C    1.596800      9.7900003E-02  -1.071200    
 C   -1.108900       1.575400      0.1759000    
 C   -2.749700     -0.6511000      0.1098000    
 C   -1.287500     -0.8602000      0.1654000    
 C   -3.237200      0.6546000      5.4900002E-02
 C    1.611900      4.5499999E-02   1.344100    
 C    2.982500     -6.2100001E-02  -1.083300    
 C    3.682800     -0.1682000      0.1183000    
 C    2.997500     -0.1144000       1.332000    
 C   0.8722000      0.2089000      -2.373300    
 C  -0.2642000       2.823900      0.3282000    
 C   -3.626000      -1.742600      8.6900003E-02
 C   -4.619800      0.8589000     -2.3300000E-02
 C   -5.000900      -1.525300      9.3999999E-03
 C   -5.498100     -0.2255000     -4.6799999E-02
 H    1.086700      8.6499996E-02   2.294600    
 H    3.499800     -0.1019000      -2.039100    
 H    3.509800     -0.1936000       2.287400    
 H    1.555500      0.1454000      -3.227200    
 H   0.1465000     -0.6038000      -2.480600    
 H   0.3533000       1.169800      -2.447100    
 H   0.4573000       2.890600     -0.4902000    
 H   0.2779000       2.787400       1.277200    
 H  -0.8911000       3.720300      0.3155000    
 H   -3.258700      -2.764300      0.1257000    
 H   -5.022300       1.868300     -6.2899999E-02
 H   -5.684000      -2.369400     -8.7000001E-03
 H   -6.569000     -5.5199999E-02 -0.1071000    


%chk=000063356-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063356

0 1
O -0.752229 -1.956984 -0.297281
O 5.736892 -0.241374 1.354896
O 5.769107 -0.425236 -0.918126
N -0.535028 0.351968 0.085078
N -2.436566 1.813925 0.311639
N 5.151123 -0.270644 0.204691
C 0.911412 0.190322 0.090440
C 1.610681 0.006281 -1.136130
C -1.127322 1.630046 0.265091
C -2.773636 -0.624926 -0.027359
C -1.320279 -0.844210 -0.100174
C -3.283460 0.696357 0.182617
C 1.583749 0.203033 1.332947
C 3.014949 -0.141088 -1.073836
C 3.673833 -0.113568 0.172689
C 2.980714 0.052212 1.389820
C 0.881835 -0.058191 -2.460177
C -0.213361 2.825546 0.388967
C -3.663614 -1.722541 -0.164077
C -4.689718 0.894180 0.255458
C -5.049991 -1.512547 -0.088476
C -5.560752 -0.199868 0.122333
H 1.001719 0.312632 2.253423
H 3.605510 -0.283094 -1.983144
H 3.529116 0.052122 2.334587
H 1.585272 -0.000559 -3.306476
H 0.326940 -1.011767 -2.535579
H 0.142917 0.756714 -2.565676
H 0.512673 2.875478 -0.442238
H 0.370144 2.803034 1.326870
H -0.839475 3.728905 0.384844
H -3.238507 -2.718669 -0.324291
H -5.059469 1.911269 0.415325
H -5.740071 -2.356404 -0.190955
H -6.643311 -0.042255 0.179980


