%chk=000151195.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151195

0 1
 O   -2.591800      0.5546000      -1.075100    
 O   -9.456000      0.6810000     -0.6800000    
 N   0.1730000      -2.447900      0.1167000    
 N    5.599100      0.1062000     -5.6499999E-02
 N   -3.524700      0.3434000       1.047100    
 C    1.276500      -1.531900     -0.2883000    
 C    1.011800     -4.7200002E-02  0.1041000    
 C    2.641100      -2.082800      0.2699000    
 C   -1.357800     -0.5824000      0.6223000    
 C   -1.138600      -1.859700     -0.1921000    
 C    3.724600      -1.075100      0.1208000    
 C    3.399100      0.2919000      3.1999999E-03
 C    2.140300      0.9039000     -8.6000003E-03
 C  -0.1910000      0.3538000      0.5513000    
 C    4.570900       1.022500     -0.1029000    
 C    5.095800      -1.169400      8.1699997E-02
 C   0.2781000      -3.762300     -0.5255000    
 C    2.107900       2.298200     -0.1330000    
 C   -2.545400      0.1583000      8.6400002E-02
 C    4.556400       2.412600     -0.2264000    
 C    3.297400       3.033400     -0.2388000    
 C    7.009000      0.4222000     -0.1338000    
 C   -4.760000       1.048200      0.7911000    
 C   -5.870200      0.1249000      0.2992000    
 C   -7.170700      0.8751000      9.3999999E-03
 C   -8.274500     -7.1500003E-02 -0.4420000    
 H    1.345600      -1.530000      -1.388000    
 H    2.931600      -2.996300     -0.2610000    
 H    2.537900      -2.330800       1.334300    
 H   -1.505100     -0.8487000       1.676600    
 H   -1.940500      -2.563800      6.7900002E-02
 H   -1.230200      -1.672400      -1.271500    
 H  -0.3530000       1.376700      0.8817000    
 H    5.752900      -2.026500      0.1430000    
 H  -0.5649000      -4.400600     -0.2359000    
 H    1.175600      -4.296900     -0.2013000    
 H   0.2890000      -3.687600      -1.618700    
 H    1.162300       2.833400     -0.1605000    
 H    5.468000       2.993400     -0.3102000    
 H    3.243800       4.115500     -0.3366000    
 H    7.595600     -0.4981000     -7.4800000E-02
 H    7.197800      0.9218000      -1.087400    
 H    7.261200       1.077500      0.7037000    
 H   -3.392000     -3.2499999E-02   1.981100    
 H   -4.569600       1.835700      5.3199999E-02
 H   -5.054800       1.529700       1.729600    
 H   -6.052300     -0.6528000       1.051700    
 H   -5.538800     -0.3947000     -0.6088000    
 H   -7.004900       1.638300     -0.7610000    
 H   -7.497700       1.418100      0.9049000    
 H   -8.490500     -0.8298000      0.3172000    
 H   -8.000300     -0.5794000      -1.371600    
 H   -9.709600       1.103000      0.1586000    


%chk=000151195-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000151195

0 1
O -2.990865 -0.107584 -1.418413
O -9.723274 0.901339 -0.276886
N 0.292462 -2.598459 -0.136639
N 5.680076 0.223327 0.134551
N -3.480651 0.399838 0.795444
C 1.402969 -1.636696 -0.385478
C 1.008352 -0.199934 0.029923
C 2.712301 -2.133761 0.329158
C -1.416281 -0.871277 0.339647
C -1.027923 -2.063024 -0.553503
C 3.797763 -1.092739 0.216945
C 3.416102 0.281055 0.068935
C 2.103956 0.801736 -0.004019
C -0.266663 0.120859 0.389504
C 4.586101 1.094815 0.026522
C 5.191270 -1.104076 0.247146
C 0.538217 -3.927284 -0.737463
C 1.992235 2.207205 -0.130218
C -2.690980 -0.179095 -0.187657
C 4.472293 2.499637 -0.091133
C 3.159361 3.027494 -0.166126
C 7.086426 0.624799 0.125658
C -4.712775 1.138990 0.472301
C -5.973697 0.242398 0.460119
C -7.249106 1.043719 0.113681
C -8.507007 0.156152 0.087763
H 1.639293 -1.589592 -1.484459
H 3.034765 -3.092880 -0.112970
H 2.452486 -2.331924 1.388343
H -1.615792 -1.249716 1.366079
H -1.774878 -2.870652 -0.447884
H -1.046435 -1.728175 -1.617147
H -0.497230 1.143970 0.715865
H 5.890409 -1.933924 0.342402
H -0.331866 -4.578157 -0.541769
H 1.419111 -4.407816 -0.281214
H 0.697222 -3.886453 -1.844939
H 1.008897 2.679061 -0.235139
H 5.343339 3.162434 -0.129889
H 3.034894 4.111644 -0.270607
H 7.723381 -0.267142 0.238131
H 7.353407 1.124390 -0.824619
H 7.307828 1.316379 0.960199
H -3.222729 0.269008 1.774931
H -4.572099 1.582618 -0.529497
H -4.835652 1.962447 1.201945
H -6.091649 -0.246422 1.449312
H -5.821073 -0.562418 -0.283894
H -7.136457 1.526942 -0.876153
H -7.389912 1.858762 0.856871
H -8.636113 -0.354349 1.067871
H -8.418346 -0.616551 -0.694473
H -9.858062 1.631281 0.379343


