%chk=000015473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015473

0 1
 O   0.2280000      -2.511100      0.5390000    
 O    4.906900      -1.683600     -0.8414000    
 N  -0.9821000     -0.6713000     -0.2047000    
 N   0.6673000       1.413000       1.081200    
 N   -4.454500      -1.960500      0.3633000    
 C   -2.167900      -1.520800     -0.3841000    
 C   -1.149400      0.7377000     -0.4546000    
 C  -0.4002000       1.731100      0.2147000    
 C    1.737000      0.6098000      0.6537000    
 C    1.511500     -0.6609000      0.1187000    
 C   -3.279400      -1.125600      0.5771000    
 C   0.1953000      -1.326800      0.1895000    
 C   -2.185800       1.153100      -1.324800    
 C  -0.7301000       3.090600     -1.6899999E-02
 C    2.581500      -1.432300     -0.3721000    
 C    3.068600       1.075400      0.6943000    
 C   0.9114000       2.297800       2.223500    
 C   -2.480900       2.498400      -1.540900    
 C    3.883900     -0.9433000     -0.3366000    
 C   -1.753500       3.470800     -0.8815000    
 C    4.129200      0.3105000      0.2043000    
 C   -4.929100      -1.840300      -1.016700    
 C   -5.521200      -1.600000       1.299400    
 C    6.213500      -1.112000     -0.7844000    
 H   -2.427100      -1.488300      -1.445200    
 H   -1.913900      -2.572300     -0.2016000    
 H   -2.912000      -1.269100       1.602200    
 H   -3.552400     -6.8099998E-02  0.4996000    
 H   -2.788100      0.4465000      -1.887600    
 H  -0.1677000       3.888100      0.4644000    
 H    2.404800      -2.424700     -0.7825000    
 H    3.298800       2.064400       1.084600    
 H    1.456500       3.202800       1.932400    
 H    1.489300       1.782000       3.000300    
 H  -3.2299999E-02   2.596500       2.696000    
 H   -3.278000       2.778600      -2.222800    
 H   -1.971600       4.522300      -1.040600    
 H    5.113900      0.7605000      0.2679000    
 H   -4.276000      -2.360400      -1.723400    
 H   -5.051100     -0.7971000      -1.330000    
 H   -5.903400      -2.332500      -1.127000    
 H   -5.865900     -0.5692000       1.157600    
 H   -5.178500      -1.710300       2.334400    
 H   -6.379800      -2.270700       1.182100    
 H    6.278200     -0.1965000      -1.382100    
 H    6.902900      -1.835700      -1.231300    
 H    6.538900     -0.9558000      0.2497000    


%chk=000015473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015473

0 1
O -0.121624 -2.457041 -0.334906
O 4.790013 -1.770187 -0.417236
N -1.133221 -0.418796 -0.765504
N 0.328031 1.549103 0.794114
N -4.322499 -2.040159 0.538166
C -2.433284 -1.152592 -0.821129
C -1.105782 0.970595 -1.142709
C -0.467368 1.952860 -0.329780
C 1.461935 0.710532 0.518324
C 1.311833 -0.533163 -0.171826
C -2.956093 -1.477838 0.601829
C -0.014588 -1.190960 -0.433802
C -1.814809 1.385601 -2.298898
C -0.625227 3.325511 -0.656867
C 2.450390 -1.317582 -0.455200
C 2.760191 1.092755 0.940830
C 0.429541 2.486824 1.925061
C -1.957019 2.751009 -2.620240
C 3.741398 -0.904051 -0.063742
C -1.377156 3.727469 -1.780139
C 3.894876 0.301910 0.661565
C -5.373832 -1.010345 0.439617
C -4.607133 -3.032621 1.592391
C 6.141675 -1.388599 -0.007798
H -3.165153 -0.525279 -1.351203
H -2.300946 -2.098159 -1.371798
H -2.279277 -2.223866 1.051036
H -2.905638 -0.554306 1.230871
H -2.260990 0.625715 -2.949214
H -0.147161 4.085244 -0.030873
H 2.317685 -2.289766 -0.937764
H 2.900047 2.030586 1.486200
H 1.101607 3.355221 1.743553
H 0.806337 1.943054 2.807622
H -0.575476 2.876495 2.157307
H -2.514592 3.045938 -3.515169
H -1.488962 4.793043 -2.007622
H 4.877588 0.638520 1.005491
H -5.171043 -0.331633 -0.407705
H -5.461525 -0.383668 1.364386
H -6.352033 -1.490911 0.257319
H -4.627972 -2.597824 2.624258
H -3.841557 -3.827318 1.570241
H -5.590632 -3.501437 1.404296
H 6.446324 -0.425896 -0.464145
H 6.792342 -2.194834 -0.377001
H 6.226279 -1.318456 1.094896


