%chk=000087682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087682

0 1
 O    1.224100     -0.1089000     -0.5323000    
 O   -1.098200      0.2944000     -0.5417000    
 N  -0.2763000      -1.845200      0.2388000    
 C  -2.3600001E-02 -0.3905000      0.1305000    
 C    1.841900       1.077900     -5.1899999E-02
 C   -2.128700      0.7122000      0.3450000    
 C    2.734400      0.7340000       1.131000    
 C    2.624800       1.728000      -1.182400    
 C   -1.799200       2.098100      0.8781000    
 C   -3.460800      0.6893000     -0.3891000    
 C  -0.3875000      -2.483900      -1.072500    
 C   0.7491000      -2.505300       1.046500    
 H   3.9500002E-02 -1.2100000E-02   1.159000    
 H    1.083800       1.803200      0.2646000    
 H   -2.216500      1.2600000E-02   1.186600    
 H    3.258500       1.620400       1.501700    
 H    2.156000      0.3102000       1.957700    
 H    3.478700     -1.9700000E-02  0.8507000    
 H    3.108200       2.653000     -0.8538000    
 H    1.960100       1.959300      -2.021800    
 H    3.392500       1.047800      -1.567600    
 H   -2.615100       2.489100       1.494100    
 H  -0.8943000       2.082300       1.493000    
 H   -1.613200       2.799100      5.7000000E-02
 H   -4.283500      0.9927000      0.2652000    
 H   -3.668500     -0.3167000     -0.7695000    
 H   -3.439100       1.355700      -1.258400    
 H   -1.198000      -2.037500      -1.658600    
 H  -0.6370000      -3.545100     -0.9601000    
 H   0.5393000      -2.411500      -1.652300    
 H   0.5006000      -3.562900       1.189500    
 H   0.8000000      -2.060400       2.046300    
 H    1.743800      -2.447400      0.5904000    


%chk=000087682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087682

0 1
O 1.394692 -0.195905 -0.454532
O -0.835013 0.481969 -0.271058
N -0.233629 -1.799036 0.214659
C 0.168139 -0.416980 0.308497
C 1.906546 1.204172 -0.508812
C -2.114200 0.550637 0.490937
C 2.344014 1.699382 0.883912
C 3.066268 1.155172 -1.509919
C -1.973013 1.481577 1.711654
C -3.160058 1.050852 -0.512460
C -0.441708 -2.313423 -1.154943
C 0.483727 -2.728278 1.105382
H 0.334075 -0.174771 1.382752
H 1.090394 1.843462 -0.895904
H -2.360789 -0.479681 0.820237
H 2.795004 2.705805 0.802241
H 1.489057 1.775874 1.580012
H 3.096063 1.015774 1.318485
H 3.488241 2.165108 -1.665177
H 2.714914 0.765994 -2.480838
H 3.867920 0.490615 -1.140177
H -2.929488 1.537788 2.264294
H -1.201468 1.120362 2.415777
H -1.698286 2.501111 1.385712
H -4.152865 1.131216 -0.032948
H -3.236136 0.358291 -1.368196
H -2.875934 2.046351 -0.898767
H -0.926148 -1.529710 -1.759055
H -1.104435 -3.197803 -1.116039
H 0.509770 -2.599855 -1.652623
H -0.079806 -3.676703 1.178491
H 0.556304 -2.295924 2.120088
H 1.513647 -2.961242 0.752017


