%chk=000016159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016159

0 1
 O   6.8300001E-02 -0.3387000      0.6268000    
 O   -2.202500     -0.3565000       2.032200    
 O   -1.055200      -2.019300     -0.4693000    
 N    3.733300     -0.6794000      0.5089000    
 C    3.987600     -0.7607000     -0.9371000    
 C    4.859300     -1.7800000E-02   1.184500    
 C    4.201100      0.6211000      -1.583900    
 C    5.168000      -1.727300      -1.157300    
 C    5.120600       1.404700      0.6541000    
 C    6.086300     -0.9448000       1.078300    
 C    5.218100       1.504800     -0.8661000    
 C    6.417900      -1.394100     -0.3440000    
 C    2.438300     -9.1600001E-02  0.8352000    
 C    1.307700     -0.9374000      0.2714000    
 C   -1.062200     -0.9862000      0.1895000    
 C   -2.321300     -0.2191000      0.6015000    
 C   -3.625200     -0.8561000      0.1149000    
 C   -2.261800       1.261700      0.2202000    
 C   -3.896700     -0.8518000      -1.233900    
 C   -2.768100       2.189400       1.101200    
 C   -4.475300      -1.408700       1.044800    
 C   -1.704000       1.608800     -0.9887000    
 C   -5.084900      -1.432400      -1.677500    
 C   -2.713700       3.539300      0.7539000    
 C   -5.663500      -1.989400      0.6010000    
 C   -1.649600       2.958700      -1.335900    
 C   -5.968200      -2.001200     -0.7602000    
 C   -2.154400       3.923900     -0.4644000    
 H    3.162400      -1.242000      -1.469000    
 H    4.637000      6.5899998E-02   2.256900    
 H    4.502700      0.5028000      -2.631900    
 H    3.241000       1.152400      -1.609900    
 H    4.841800      -2.738200     -0.8755000    
 H    5.427000      -1.777100      -2.221800    
 H    6.034000       1.812200       1.103800    
 H    4.306500       2.060700      0.9885000    
 H    5.889800      -1.843800       1.678900    
 H    6.965200     -0.4662000       1.526500    
 H    6.230100       1.251400      -1.193100    
 H    5.075400       2.548300      -1.172800    
 H    7.073800      -2.272500     -0.3059000    
 H    7.003700     -0.6247000     -0.8539000    
 H    2.312400     -4.7699999E-02   1.925100    
 H    2.333100      0.9425000      0.4868000    
 H    1.328400     -0.9828000     -0.8201000    
 H    1.351300      -1.954900      0.6785000    
 H   -1.479400      0.2161000       2.342000    
 H   -3.219300     -0.4398000      -1.972100    
 H   -3.220900       1.911000       2.047400    
 H   -4.273500      -1.417100       2.110300    
 H   -1.301000      0.8783000      -1.682500    
 H   -5.319800      -1.446900      -2.737800    
 H   -3.110000       4.290700       1.430700    
 H   -6.351800      -2.432400       1.314900    
 H   -1.213400       3.258700      -2.284300    
 H   -6.892600      -2.454500      -1.105800    
 H   -2.112600       4.974900     -0.7352000    


%chk=000016159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016159

0 1
O 0.066353 -0.273968 0.499665
O -1.992076 0.590888 1.788712
O -1.130121 -1.297980 -1.214033
N 3.766827 -0.728507 0.200615
C 4.291654 0.015123 -0.989406
C 4.863586 -0.955339 1.190815
C 4.867827 1.408819 -0.583829
C 5.281831 -0.919442 -1.733632
C 5.450227 0.393726 1.711270
C 5.892631 -1.924795 0.550276
C 5.900102 1.350981 0.574938
C 6.421182 -1.460781 -0.832510
C 2.492017 -0.221189 0.749026
C 1.334588 -0.895785 0.000022
C -1.101132 -0.561646 -0.207619
C -2.300605 0.221409 0.404084
C -3.553492 -0.680361 0.441718
C -2.538697 1.503109 -0.443739
C -4.243194 -1.010766 -0.750186
C -3.098875 2.628978 0.210579
C -4.010563 -1.199434 1.676474
C -2.256363 1.578026 -1.830290
C -5.374819 -1.853388 -0.706661
C -3.371004 3.811294 -0.509973
C -5.148087 -2.037320 1.717866
C -2.525618 2.766027 -2.548381
C -5.833429 -2.369513 0.527629
C -3.084283 3.885945 -1.893420
H 3.438000 0.195309 -1.673373
H 4.416414 -1.483811 2.056566
H 5.315979 1.897294 -1.471081
H 4.020035 2.053275 -0.272804
H 4.691040 -1.774487 -2.115272
H 5.705640 -0.392535 -2.610960
H 6.293269 0.196792 2.402563
H 4.661960 0.894859 2.311019
H 5.380524 -2.898529 0.426126
H 6.737528 -2.083651 1.248749
H 6.885547 1.038244 0.188241
H 6.043439 2.368783 0.987510
H 6.913172 -2.313831 -1.338876
H 7.204270 -0.692332 -0.704682
H 2.428154 -0.481745 1.821785
H 2.374094 0.884323 0.678173
H 1.394091 -0.738406 -1.091297
H 1.297481 -1.979645 0.199951
H -1.021495 0.797309 1.829967
H -3.903072 -0.613354 -1.710903
H -3.308260 2.563426 1.282463
H -3.475118 -0.931060 2.590317
H -1.827230 0.717319 -2.355187
H -5.899327 -2.104143 -1.635515
H -3.807072 4.673744 0.006958
H -5.497090 -2.429702 2.679964
H -2.298923 2.813140 -3.619582
H -6.714566 -3.020492 0.560229
H -3.293754 4.804996 -2.452260


