%chk=000052080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052080

0 1
 O    1.546400     -0.2629000       1.742300    
 O   -3.163300       2.165900      0.5330000    
 O   -3.123200      -2.611900      0.2028000    
 O   -4.532800     -0.2288000      0.2878000    
 N    1.808500     -0.1178000     -0.5769000    
 C    3.250200     -9.1899998E-02 -0.5199000    
 C    3.786000      -1.386300      9.6600004E-02
 C    3.740000       1.136800      0.2509000    
 C    5.307600      -1.364200      0.2177000    
 C    5.261700       1.155600      0.3701000    
 C    5.793800     -0.1366000      0.9831000    
 C    1.215300     -5.0400000E-02  -1.916200    
 C    1.065100     -0.2046000      0.6113000    
 C  -0.4040000     -0.2108000      0.5279000    
 C   0.9881000       1.379800      -2.277500    
 C   -1.072800      -1.419000      0.4055000    
 C   -1.093200      0.9912000      0.5712000    
 C   -2.485700      0.9849000      0.4901000    
 C   -2.465200      -1.425200      0.3242000    
 C  -0.2095000       1.889300      -2.587500    
 C   -3.171800     -0.2233000      0.3666000    
 C   -3.558600       2.640000       1.818700    
 C   -3.361800      -3.088200      -1.120200    
 C   -5.120800      0.4784000     -0.8016000    
 H    3.648000     -1.8600000E-02  -1.540900    
 H    3.376100      -1.575000       1.093600    
 H    3.484900      -2.241900     -0.5210000    
 H    3.326700       1.185500       1.263000    
 H    3.407800       2.051800     -0.2546000    
 H    5.651700      -2.274300      0.7221000    
 H    5.752700      -1.368300     -0.7849000    
 H    5.703500       1.296600     -0.6241000    
 H    5.574200       2.010100      0.9811000    
 H    5.467000     -0.2058000       2.028000    
 H    6.889400     -0.1172000      0.9914000    
 H    1.882900     -0.5286000      -2.641400    
 H   0.2800000     -0.6173000      -1.937800    
 H    1.851800       2.039200      -2.306600    
 H  -0.5227000      -2.355900      0.3723000    
 H  -0.5599000       1.933000      0.6717000    
 H  -0.3089000       2.937100      -2.848900    
 H   -1.104600       1.277400      -2.593000    
 H   -4.099800       3.580600       1.685200    
 H   -4.222700       1.920600       2.308100    
 H   -2.680200       2.826900       2.444500    
 H   -3.979100      -2.379400      -1.680900    
 H   -2.415100      -3.257000      -1.643200    
 H   -3.897200      -4.039000      -1.050700    
 H   -5.424500       1.478200     -0.4794000    
 H   -4.449000      0.5435000      -1.664900    
 H   -6.019000     -6.4900003E-02  -1.109800    


%chk=000052080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052080

0 1
O 1.565729 -1.264730 1.207642
O -3.142412 2.022447 -0.325705
O -3.213630 -2.903337 0.214213
O -4.661146 -0.430650 -0.144726
N 1.916599 0.151424 -0.615424
C 3.399980 0.172674 -0.387683
C 4.052797 -1.221510 -0.580713
C 3.783640 0.801358 0.974987
C 5.590739 -1.126949 -0.428218
C 5.322953 0.888324 1.114985
C 5.983672 -0.498452 0.931246
C 1.467605 0.702583 -1.923356
C 1.091889 -0.556352 0.256497
C -0.408138 -0.474953 0.080112
C 1.539408 2.219332 -1.996006
C -1.148622 -1.670073 0.235367
C -1.092080 0.755296 -0.080031
C -2.500325 0.776486 -0.122145
C -2.558454 -1.660162 0.165775
C 0.531023 3.016255 -2.426587
C -3.249836 -0.431551 -0.042178
C -4.031560 2.450511 0.780578
C -4.290854 -3.053860 1.217119
C -5.164090 -0.077035 -1.495813
H 3.805785 0.837918 -1.179002
H 3.636767 -1.910964 0.174489
H 3.788393 -1.621283 -1.580206
H 3.365719 0.179734 1.786067
H 3.328445 1.807689 1.057723
H 6.036252 -2.135504 -0.528455
H 6.011693 -0.508811 -1.249842
H 5.730488 1.588791 0.355029
H 5.581827 1.308225 2.106040
H 5.654465 -1.169213 1.750585
H 7.085087 -0.410566 1.006697
H 2.125291 0.269103 -2.707555
H 0.443843 0.358591 -2.137360
H 2.492908 2.673702 -1.687888
H -0.634363 -2.617350 0.418436
H -0.556465 1.706386 -0.148959
H 0.644361 4.104851 -2.480845
H -0.440324 2.606916 -2.731043
H -4.458749 3.411766 0.456429
H -4.831521 1.708425 0.952652
H -3.442152 2.593117 1.705988
H -3.876693 -2.940463 2.237468
H -5.093574 -2.317350 1.046483
H -4.667376 -4.078974 1.079663
H -4.824730 0.934891 -1.780692
H -4.814624 -0.821058 -2.234942
H -6.261643 -0.108347 -1.417997


