%chk=000049108.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049108

0 1
 O  -0.8893000      -1.306200     -0.7662000    
 O   -1.023600      -1.656400       1.518300    
 N  -0.1734000       1.507100       1.099800    
 N   -3.031100       1.617900     -0.3124000    
 N   0.7027000      -2.625400      0.2973000    
 C    1.157900       2.120300       1.218300    
 C  -0.6214000       1.491100     -0.2687000    
 C    2.173600       1.429000      0.3554000    
 C   -1.946200      0.8188000     -0.4225000    
 C   -1.123800       2.222700       1.964000    
 C   -2.042100     -0.5213000     -0.6595000    
 C    2.902200      0.3633000      0.8706000    
 C    2.375000       1.861300     -0.9503000    
 C   -3.264300      -1.125000     -0.7984000    
 C    3.845800     -0.2791000      6.8899997E-02
 C    3.318400       1.218700      -1.751900    
 C    4.053800      0.1486000      -1.242300    
 C   -4.234900       1.018300     -0.4501000    
 C   -4.404100     -0.3355000     -0.6915000    
 C  -0.4513000      -1.847900      0.4459000    
 C    1.304300      -3.270800       1.455400    
 C    1.371800      -2.849300     -0.9801000    
 H    1.496600       2.074700       2.262100    
 H    1.125100       3.188500      0.9612000    
 H   5.6100000E-02  0.9572000     -0.9398000    
 H  -0.6987000       2.510300     -0.6740000    
 H   -1.346600       3.230600       1.595300    
 H  -0.7150000       2.320900       2.977100    
 H   -2.058000       1.666600       2.089700    
 H    2.745900      1.8700000E-02   1.889000    
 H    1.820600       2.702200      -1.357800    
 H   -3.353800      -2.189600     -0.9878000    
 H    4.417000      -1.113500      0.4652000    
 H    3.482400       1.553200      -2.772000    
 H   -5.091900       1.677300     -0.3579000    
 H   -5.393400     -0.7665000     -0.7940000    
 H    4.788000     -0.3521000      -1.866600    
 H    1.326100      -4.350800       1.283300    
 H   0.7408000      -3.067100       2.369300    
 H    2.325400      -2.898900       1.577900    
 H    1.178200      -3.880500      -1.289600    
 H    2.448200      -2.709000     -0.8551000    
 H    1.014800      -2.171800      -1.758400    


%chk=000049108-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049108

0 1
O -0.958691 -1.424035 -0.402284
O -1.362225 -1.782797 1.900116
N -0.008982 1.358885 0.907524
N -3.111056 1.588441 -0.715106
N 0.463514 -2.784136 0.805055
C 1.250922 2.146031 0.965431
C -0.674081 1.533354 -0.416531
C 2.331305 1.663956 0.003787
C -2.000486 0.804441 -0.535162
C -0.896737 1.696414 2.046484
C -2.120364 -0.609111 -0.485184
C 2.612602 0.280631 -0.130384
C 3.107604 2.593316 -0.731415
C -3.382850 -1.224527 -0.592567
C 3.651925 -0.160835 -0.978182
C 4.152309 2.154628 -1.577882
C 4.428974 0.774258 -1.702962
C -4.331089 0.991542 -0.833300
C -4.518909 -0.407287 -0.770958
C -0.660091 -1.991605 0.881193
C 0.920182 -3.470987 2.024234
C 1.178255 -3.091595 -0.443758
H 1.629344 2.059612 2.003730
H 1.065087 3.237213 0.784475
H 0.028350 1.165167 -1.187515
H -0.891226 2.607888 -0.628234
H -1.260148 2.753319 2.020855
H -0.346004 1.536505 2.990140
H -1.769899 1.025225 2.054678
H 1.993470 -0.430206 0.428382
H 2.891855 3.665511 -0.642040
H -3.459811 -2.314729 -0.538739
H 3.862261 -1.232636 -1.076758
H 4.743720 2.886117 -2.140419
H -5.181253 1.668154 -0.975977
H -5.520174 -0.840257 -0.859164
H 5.236652 0.430800 -2.359369
H 0.861735 -4.569670 1.898269
H 0.277328 -3.170733 2.864713
H 1.967986 -3.196160 2.249641
H 0.970108 -4.130388 -0.769535
H 2.267945 -2.991291 -0.282698
H 0.868444 -2.397820 -1.235481


