%chk=000176852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176852

0 1
 O    2.003400      0.7050000      0.1840000    
 O    3.676500      0.4318000      -1.365400    
 O   -3.032400      0.3671000       1.446800    
 N    3.909500     -0.2909000      0.8268000    
 N   0.7659000     -0.3140000      -2.817500    
 C    5.245200     -0.8324000      0.7270000    
 C    5.462800      -2.219300      0.2295000    
 C    5.703100      -1.887900       1.673200    
 C    3.240100      0.2944000     -0.2273000    
 C    1.191000       1.334900     -0.8129000    
 C  -0.1003000       1.795400     -0.1777000    
 C  -0.9726000      0.8541000      0.3435000    
 C  -0.3860000       3.149800     -0.1286000    
 C   -2.164500       1.279300      0.9303000    
 C   -1.577900       3.574900      0.4581000    
 C   -2.467100       2.639800      0.9875000    
 C   0.9537000      0.4121000      -1.931900    
 C   -3.304700     -0.7616000      0.6920000    
 C   -3.561000     -0.6222000     -0.6600000    
 C   -3.313500      -1.999200       1.309600    
 C   -3.835100      -1.759000      -1.420400    
 C   -3.587600      -3.136000      0.5492000    
 C   -3.848400      -3.016000     -0.8158000    
 H    5.976100     -8.1400000E-02  0.4461000    
 H    4.599000      -2.827500     -9.6000005E-03
 H    6.327000      -2.402500     -0.3970000    
 H    6.729300      -1.849700       2.017500    
 H    5.000900      -2.275600       2.401000    
 H    3.443400     -0.3420000       1.728200    
 H    1.739700       2.211100      -1.183800    
 H  -0.7109000     -0.2006000      0.3198000    
 H   0.2975000       3.888500     -0.5366000    
 H   -1.813700       4.634200      0.5027000    
 H   -3.394200       2.977000       1.442800    
 H   -3.579700      0.3470000      -1.149700    
 H   -3.110200      -2.094200       2.371900    
 H   -4.043300      -1.665200      -2.482200    
 H   -3.598100      -4.114700       1.020000    
 H   -4.063100      -3.901000      -1.407600    


%chk=000176852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176852

0 1
O 2.128301 -0.534499 -0.385479
O 3.686799 1.245515 -0.549528
O -3.160735 0.469337 1.222676
N 4.078732 -0.670279 0.771119
N 0.205180 -1.465234 -3.039650
C 5.364217 -0.274023 1.305408
C 6.576236 -0.209809 0.369766
C 6.461839 -1.340675 1.402288
C 3.359643 0.126814 -0.082434
C 1.217495 0.259546 -1.276812
C 0.161717 0.989450 -0.456234
C -1.033680 0.340252 -0.065969
C 0.419694 2.323616 -0.057323
C -1.972103 1.043810 0.720894
C -0.525987 3.006634 0.739901
C -1.725034 2.375174 1.128894
C 0.659617 -0.703221 -2.243440
C -3.804953 -0.615180 0.564626
C -3.940036 -0.684888 -0.841131
C -4.405797 -1.574983 1.406863
C -4.677151 -1.750860 -1.403562
C -5.146070 -2.630262 0.829965
C -5.280523 -2.725867 -0.575190
H 5.317819 0.476048 2.103006
H 6.406343 -0.459530 -0.680356
H 7.299840 0.590980 0.539861
H 7.110835 -1.322726 2.281680
H 6.230021 -2.341778 1.025788
H 3.634802 -1.532648 1.091764
H 1.851406 0.996286 -1.809760
H -1.224291 -0.695290 -0.366155
H 1.354800 2.809064 -0.356114
H -0.332817 4.037811 1.053212
H -2.473520 2.887123 1.740802
H -3.488836 0.077523 -1.483615
H -4.288750 -1.479459 2.490439
H -4.780919 -1.813297 -2.492166
H -5.614083 -3.378371 1.479082
H -5.850250 -3.548608 -1.019618


