%chk=000058028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058028

0 1
 O  -0.1788000      0.1064000      0.2968000    
 O   -4.003600       1.542200      0.2316000    
 O   -1.526400       1.656100       1.336900    
 N    4.629200      0.3000000     -0.2897000    
 N   -5.582500      -2.921200     -0.6049000    
 C    5.837700       1.124600     -0.1494000    
 C    4.805000      -1.012700      0.3475000    
 C    7.050600      0.4371000     -0.7781000    
 C    5.984100      -1.770100     -0.2652000    
 C    7.268200     -0.9520000     -0.1890000    
 C    3.470000      0.9912000      0.2742000    
 C    2.198900      0.1876000      1.9700000E-02
 C   0.9703000      0.8938000      0.5769000    
 C   -1.368000      0.6059000      0.7342000    
 C   -2.484600     -0.3072000      0.3818000    
 C   -3.744900      0.2065000      0.1493000    
 C   -2.218000      -1.659900      0.2980000    
 C   -4.780800     -0.6672000     -0.1804000    
 C   -4.535300      -2.037400     -0.2709000    
 C   -3.253900      -2.533700     -3.1599998E-02
 C   -4.489900       2.181200     -0.9468000    
 C   -4.047300       3.628800     -0.9409000    
 H    6.043600       1.339400      0.9075000    
 H    5.692100       2.086900     -0.6551000    
 H    3.944000      -1.667000      0.1913000    
 H    4.953300     -0.9090000       1.430300    
 H    6.905200      0.3552000      -1.862900    
 H    7.945800       1.049400     -0.6212000    
 H    6.123800      -2.723900      0.2562000    
 H    5.764600      -2.007800      -1.313900    
 H    8.074300      -1.465800     -0.7239000    
 H    7.582400     -0.8605000      0.8580000    
 H    3.597100       1.166500       1.350400    
 H    3.360100       1.972800     -0.2040000    
 H    2.215600     -0.7971000      0.4965000    
 H    2.061700      7.4000000E-03  -1.054300    
 H   0.8590000       1.878600      0.1078000    
 H    1.069700       1.022400       1.661300    
 H   -1.234100      -2.075900      0.4934000    
 H   -5.782800     -0.2843000     -0.3592000    
 H   -3.051000      -3.599800     -9.6000001E-02
 H   -5.584000       2.127200     -0.9557000    
 H   -4.103700       1.690000      -1.848700    
 H   -5.405000      -3.914700     -0.6700000    
 H   -6.512000      -2.562400     -0.7781000    
 H   -2.954600       3.697100     -0.9163000    
 H   -4.418000       4.142100     -4.7499999E-02
 H   -4.413900       4.153800      -1.827400    


%chk=000058028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058028

0 1
O -0.011132 0.155189 -0.137339
O -3.975825 1.748914 -0.313737
O -1.262701 2.118346 -0.043343
N 4.938579 0.072547 -0.173064
N -5.590994 -2.869966 -0.530778
C 6.145791 0.939301 -0.134849
C 5.124302 -1.141497 0.664275
C 7.396332 0.184972 -0.629769
C 6.344172 -1.960719 0.195588
C 7.624575 -1.096747 0.203320
C 3.718851 0.839809 0.181128
C 2.408623 0.064257 -0.079880
C 1.200276 1.001403 -0.009080
C -1.244852 0.866280 -0.136296
C -2.386541 -0.069468 -0.249068
C -3.751373 0.375331 -0.327992
C -2.156957 -1.474341 -0.275828
C -4.807489 -0.560985 -0.421119
C -4.544001 -1.957772 -0.440820
C -3.193644 -2.409564 -0.368054
C -5.363855 2.247273 -0.403506
C -5.272850 3.770502 -0.369278
H 6.337102 1.318989 0.905812
H 5.957075 1.821693 -0.775474
H 4.213904 -1.762328 0.596962
H 5.260360 -0.863870 1.745623
H 7.250201 -0.086025 -1.693301
H 8.276372 0.854313 -0.570533
H 6.464232 -2.845122 0.850881
H 6.151749 -2.326540 -0.831593
H 8.484540 -1.670333 -0.191535
H 7.873255 -0.816462 1.248240
H 3.739893 1.177628 1.252341
H 3.719926 1.757497 -0.441091
H 2.270089 -0.743085 0.662663
H 2.461948 -0.405265 -1.079166
H 1.205414 1.749322 -0.824114
H 1.153010 1.550149 0.951704
H -1.120178 -1.814359 -0.219645
H -5.844854 -0.218168 -0.480117
H -2.972155 -3.482650 -0.383825
H -5.953879 1.857853 0.452147
H -5.825706 1.890367 -1.347604
H -5.406012 -3.868727 -0.545345
H -6.556601 -2.559060 -0.583355
H -4.670686 4.140216 -1.215954
H -4.791647 4.106897 0.564165
H -6.283440 4.214602 -0.429898


