%chk=000043019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043019

0 1
 O    2.370500       1.753800      0.1201000    
 O   -2.142000      -2.222500     -5.1300000E-02
 O    4.646100       2.133500      0.1037000    
 N   -4.927400      0.9337000      0.2626000    
 N    3.794200     -4.0800001E-02 -2.6200000E-02
 C   -2.600500      0.1386000      0.1135000    
 C   -4.079400     -0.2470000      0.1438000    
 C    2.509800     -0.5397000     -3.5000000E-02
 C  -0.2158000     -0.8745000     -2.6000000E-03
 C    1.675200      0.5557000      5.4099999E-02
 C   -1.656600      -1.074700      1.3900000E-02
 C   0.3029000      0.4212000      7.2499998E-02
 C    2.027500      -1.829600     -0.1114000    
 C   0.6395000      -1.990400     -9.3999997E-02
 C    3.714300       1.339100      6.7000002E-02
 C   -6.338200      0.5495000      0.3338000    
 C   -4.704900       1.843100     -0.8626000    
 C    4.984800     -0.8490000     -0.1021000    
 H   -2.380700      0.7512000     -0.7669000    
 H   -2.354100      0.6934000       1.026300    
 H   -4.330400     -0.8290000     -0.7533000    
 H   -4.247700     -0.9072000       1.004600    
 H  -0.3122000       1.309800      0.1431000    
 H    2.684400      -2.688400     -0.1813000    
 H   0.2376000      -2.999300     -0.1527000    
 H   -6.515100     -0.1086000       1.191900    
 H   -6.672300      3.2200001E-02 -0.5730000    
 H   -6.971200       1.431500      0.4817000    
 H   -4.780300       1.337600      -1.832300    
 H   -3.737800       2.350400     -0.7920000    
 H   -5.446900       2.651100     -0.8516000    
 H    5.872600     -0.2111000     -7.6600000E-02
 H    4.978400      -1.416400      -1.037300    
 H    5.012000      -1.534700      0.7497000    


%chk=000043019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043019

0 1
O 2.529318 1.738492 0.072290
O -2.155801 -2.253504 -0.063710
O 4.880058 2.098166 0.102739
N -4.987819 0.921193 0.188589
N 3.909113 -0.090418 0.023268
C -2.621330 0.140941 -0.048167
C -4.110835 -0.242202 -0.087164
C 2.591816 -0.574406 -0.003211
C -0.206288 -0.842664 -0.034617
C 1.741533 0.561804 0.026973
C -1.692666 -1.073149 -0.051924
C 0.353631 0.470060 0.012812
C 2.052511 -1.873972 -0.049077
C 0.646500 -1.984543 -0.063751
C 3.918482 1.318912 0.069032
C -6.363572 0.500640 0.530689
C -4.982205 1.926247 -0.894616
C 5.138762 -0.885866 0.008948
H -2.352684 0.794904 -0.901812
H -2.438933 0.742059 0.866577
H -4.347207 -0.728693 -1.067231
H -4.293834 -1.005843 0.689149
H -0.266203 1.369056 0.041819
H 2.690886 -2.762021 -0.071980
H 0.163061 -2.966201 -0.097299
H -6.337824 -0.185181 1.395809
H -6.892398 -0.020149 -0.307844
H -6.961958 1.385599 0.812239
H -5.334210 1.515766 -1.876233
H -3.967127 2.334813 -1.040045
H -5.642693 2.767352 -0.619230
H 5.992261 -0.190658 0.038555
H 5.200007 -1.493495 -0.911031
H 5.183949 -1.550540 0.889554


