%chk=000028912.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028912

0 1
 O   -1.931800     -0.9000000      -2.103900    
 O    1.560200      -1.563200      0.6857000    
 O  -0.4839000      -2.578100      0.5766000    
 N   -2.594100      0.1724000     -0.1637000    
 C   -3.751600       1.031800       1.707300    
 C   -4.571400       1.293800      0.4512000    
 C   -2.359200      0.7554000       1.156400    
 C   -3.995900      0.2943000     -0.5395000    
 C   -1.670700     -0.4257000     -0.9988000    
 C  -0.2784000     -0.4832000     -0.5113000    
 C   0.5029000      0.5557000     -0.8292000    
 C    1.890700      0.5896000     -0.3943000    
 C   0.2287000      -1.624000      0.2841000    
 C    2.387500     -0.4726000      0.3540000    
 C    2.742000       1.653500     -0.7028000    
 C    3.707100     -0.5015000      0.8009000    
 C    4.068300       1.638600     -0.2614000    
 C    4.549400      0.5632000      0.4886000    
 H   -3.767500       1.867300       2.412300    
 H   -4.134900      0.1415000       2.220300    
 H   -5.645900       1.163900      0.6058000    
 H   -4.394000       2.317400      9.9799998E-02
 H   -1.793800       1.683200       1.017300    
 H   -1.782200      7.5900003E-02   1.789600    
 H   -4.456800     -0.6934000     -0.4280000    
 H   -4.095900      0.6152000      -1.580700    
 H   0.1315000       1.392600      -1.412800    
 H    2.387400       2.500100      -1.285400    
 H    4.079500      -1.338100       1.384000    
 H    4.727700       2.467400     -0.5030000    
 H    5.581000      0.5577000      0.8284000    


%chk=000028912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028912

0 1
O -1.759608 0.065770 -2.187707
O 1.515865 -1.021783 1.120200
O -0.637122 -1.794553 1.296705
N -2.696241 0.251727 -0.074472
C -4.188917 0.536787 1.766881
C -4.866475 1.074172 0.480467
C -2.685793 0.481161 1.399775
C -4.062587 0.400468 -0.652907
C -1.623423 0.078974 -0.914588
C -0.224030 -0.018756 -0.335719
C 0.769285 0.716191 -0.960963
C 2.151972 0.649200 -0.557926
C 0.116187 -0.985904 0.718284
C 2.493722 -0.236504 0.506577
C 3.191086 1.415436 -1.161648
C 3.819401 -0.362343 0.971387
C 4.514623 1.298338 -0.708540
C 4.825579 0.409833 0.359069
H -4.373791 1.168443 2.651927
H -4.554620 -0.481981 1.990106
H -5.941010 0.831509 0.428479
H -4.759128 2.173108 0.420833
H -2.178813 1.439640 1.631224
H -2.163440 -0.336383 1.919213
H -4.467237 -0.597191 -0.911728
H -4.009362 0.988403 -1.584412
H 0.482446 1.357607 -1.802110
H 2.940740 2.095279 -1.984017
H 4.036899 -1.055003 1.789151
H 5.310148 1.887717 -1.174909
H 5.859543 0.321339 0.708867


