%chk=000176858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176858

0 1
 O   -1.583600     -0.4584000     -0.1699000    
 O    3.331100     -0.5280000      0.4878000    
 O   -3.819900     -0.8803000      4.1099999E-02
 N   -3.061500       1.310700     -0.1399000    
 N   -2.204100      -2.856800       2.159400    
 C   -1.930600       2.216300     -0.2839000    
 C   -4.377600       1.936900     -6.1500002E-02
 C   -1.329800      -1.867100     -0.1152000    
 C   0.1485000      -2.113400     -0.3079000    
 C   -2.896500     -7.7100001E-02 -7.9999998E-02
 C    1.059100      -1.194000      0.1861000    
 C   -1.380700       2.635900       1.063600    
 C   -4.996900       2.100200      -1.434200    
 C   0.5638000      -3.254300     -0.9746000    
 C    2.423600      -1.421800      8.5000005E-03
 C    1.928600      -3.482100      -1.152300    
 C    2.858300      -2.565800     -0.6608000    
 C    3.088400      0.8174000      0.2662000    
 C   -1.816500      -2.420000       1.156500    
 C    2.679900       1.230400     -0.9890000    
 C    3.260900       1.713300       1.305800    
 C    2.435400       2.585500      -1.212200    
 C    3.016400       3.068200       1.082500    
 C    2.603600       3.504400     -0.1764000    
 H   -1.136800       1.733700     -0.8640000    
 H   -2.245500       3.096000     -0.8562000    
 H   -5.029600       1.299600      0.5465000    
 H   -4.294600       2.902700      0.4483000    
 H   -1.867700      -2.325800     -0.9557000    
 H   0.7161000     -0.3234000      0.7388000    
 H   -2.141800       3.145000       1.663600    
 H   -1.031300       1.769900       1.635400    
 H  -0.5370000       3.320500      0.9341000    
 H   -4.381300       2.740700      -2.074000    
 H   -5.103200       1.133000      -1.936800    
 H   -5.989700       2.553400      -1.353100    
 H  -0.1518000      -3.974900      -1.359600    
 H    2.267300      -4.373000      -1.673100    
 H    3.920100      -2.748500     -0.8026000    
 H    2.563800      0.5384000      -1.818000    
 H    3.581400       1.375100       2.286600    
 H    2.118000       2.925900      -2.193500    
 H    3.146800       3.783600       1.889200    
 H    2.413200       4.559400     -0.3501000    


%chk=000176858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176858

0 1
O -1.836884 0.094282 0.682636
O 3.645118 -0.513906 -0.789286
O -3.429206 -1.477479 -0.082900
N -3.773973 0.836026 -0.326349
N -0.093123 -0.486220 3.538789
C -3.283514 2.220401 -0.111530
C -5.100776 0.638663 -0.960882
C -1.001137 -1.082341 1.104794
C 0.087452 -1.358036 0.075246
C -3.072241 -0.273745 0.062570
C 1.361619 -0.750651 0.169953
C -3.661239 2.780370 1.275787
C -5.026447 0.624435 -2.501645
C -0.218238 -2.221843 -1.006149
C 2.320923 -1.005921 -0.835343
C 0.757872 -2.471778 -1.995515
C 2.029335 -1.865960 -1.918196
C 3.960266 0.715856 -0.149798
C -0.494939 -0.745408 2.446825
C 3.142272 1.864154 -0.259778
C 5.203264 0.763892 0.516689
C 3.580749 3.072995 0.325181
C 5.630279 1.981040 1.091347
C 4.821063 3.138105 1.002413
H -2.188793 2.231320 -0.236319
H -3.719479 2.847654 -0.911428
H -5.510941 -0.317693 -0.595850
H -5.764081 1.451690 -0.610551
H -1.684924 -1.952331 1.169207
H 1.607842 -0.106586 1.020809
H -4.755226 2.764093 1.431899
H -3.184031 2.186193 2.073362
H -3.316988 3.826475 1.371716
H -4.595496 1.563005 -2.895473
H -4.404060 -0.218131 -2.848388
H -6.038344 0.507109 -2.930733
H -1.211439 -2.679100 -1.069372
H 0.529521 -3.142198 -2.830558
H 2.802480 -2.050421 -2.669854
H 2.190903 1.818495 -0.799087
H 5.811871 -0.143455 0.572736
H 2.952312 3.966733 0.243705
H 6.593287 2.022543 1.611732
H 5.153391 4.079073 1.453085


