%chk=000085328.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085328

0 1
 O   -3.947600      -2.294500     -0.5910000    
 O   -4.240800       2.218000      0.4181000    
 N   -3.576800     -1.7700000E-02 -2.7799999E-02
 N    2.003900      0.2025000      0.6031000    
 N    2.568900     -0.1450000     -0.4606000    
 C   -2.154700      3.8400002E-02  0.1342000    
 C   -1.459200      -1.081900      0.5891000    
 C   -1.465200       1.213500     -0.1643000    
 C   -4.297300      -1.151400     -0.3460000    
 C   -4.436300       1.053500      0.1106000    
 C   0.6084000      0.1477000      0.4460000    
 C  -7.4199997E-02  -1.027100      0.7454000    
 C  -8.0200002E-02   1.268300     -8.1000002E-03
 C   -5.711600     -0.7544000     -0.4045000    
 C   -5.792400      0.5470000     -0.1465000    
 C    3.957400     -9.0599999E-02 -0.3050000    
 C    4.652900      -1.211100      0.1493000    
 C    4.647000       1.084400     -0.6038000    
 C    6.038000      -1.156700      0.3046000    
 C    6.032200       1.138900     -0.4486000    
 C    6.727700      1.8300001E-02  5.7000001E-03
 H   -1.966600      -2.003600      0.8570000    
 H   -1.970400       2.095100     -0.5468000    
 H   0.4595000      -1.902300       1.106600    
 H   0.4503000       2.185800     -0.2482000    
 H   -6.524100      -1.424000     -0.6315000    
 H   -6.684800       1.149200     -0.1137000    
 H    4.124600      -2.131500      0.3841000    
 H    4.114200       1.962600     -0.9591000    
 H    6.579600      -2.029200      0.6581000    
 H    6.569300       2.053700     -0.6815000    
 H    7.806200      6.0600001E-02  0.1265000    


%chk=000085328-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085328

0 1
O -4.335975 -1.362745 1.830266
O -3.953031 1.331770 -2.033724
N -3.693668 -0.017358 -0.058198
N 1.962116 -0.034923 0.614160
N 2.711070 0.064774 -0.454905
C -2.263956 -0.017551 0.083631
C -1.678282 -0.097818 1.373325
C -1.436374 0.059962 -1.071824
C -4.622017 -0.682027 0.817986
C -4.431746 0.646791 -1.100154
C 0.554413 -0.021272 0.353635
C -0.277634 -0.105689 1.498950
C -0.040530 0.063314 -0.936804
C -5.996305 -0.402077 0.275758
C -5.885999 0.368456 -0.837276
C 4.121408 0.042724 -0.200128
C 4.943315 0.170855 -1.351050
C 4.714858 -0.097280 1.087336
C 6.347861 0.162552 -1.221934
C 6.116604 -0.105813 1.206704
C 6.937825 0.024404 0.056523
H -2.307971 -0.169283 2.261740
H -1.888890 0.129735 -2.062943
H 0.196801 -0.171096 2.483032
H 0.610396 0.124070 -1.813699
H -6.887689 -0.797863 0.762139
H -6.664557 0.766056 -1.488098
H 4.456198 0.275291 -2.326234
H 4.062123 -0.196232 1.959962
H 6.979555 0.262657 -2.111067
H 6.579355 -0.214663 2.194152
H 8.028625 0.016780 0.160141


