%chk=000058022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058022

0 1
 O   0.6719000      -1.574500     -0.2495000    
 O    1.758400      -2.044100       1.724900    
 N   -2.772100      -1.128400     -0.1328000    
 N    4.948100       2.989000     -0.6268000    
 C   -3.545100      0.1030000     -0.2838000    
 C   -2.609500       1.265900     -0.6320000    
 C   -4.326500      0.3885000       1.003400    
 C   -3.373000       2.586100     -0.7230000    
 C   -5.087400       1.710000      0.9110000    
 C   -4.161500       2.869000      0.5525000    
 C   -2.013700      -1.412800      -1.341300    
 C   -1.233100      -2.719900      -1.182200    
 C  -0.2318000      -2.652900     -2.4499999E-02
 C   0.5651000      -3.945400      9.1100000E-02
 C    1.619200      -1.382800      0.7077000    
 C    2.492300     -0.2340000      0.3574000    
 C    3.057500      0.5086000       1.373900    
 C    2.712500      5.4900002E-02 -0.9739000    
 C    3.878500       1.587100       1.044700    
 C    3.533700       1.133300      -1.303000    
 C    4.116600       1.899500     -0.2937000    
 H   -4.270800     -2.6200000E-02  -1.098600    
 H   -2.131800       1.138500      -1.608200    
 H   -1.812700       1.358200      0.1177000    
 H   -3.640800      0.4297000       1.860200    
 H   -5.036700     -0.4230000       1.203900    
 H   -2.670900       3.406400     -0.9105000    
 H   -4.061100       2.552800      -1.576800    
 H   -5.875900       1.624700      0.1530000    
 H   -5.583600       1.916800       1.865900    
 H   -3.463800       3.047000       1.380000    
 H   -4.749100       3.785400      0.4273000    
 H   -3.399000      -1.905000      7.6200001E-02
 H   -2.685000      -1.510300      -2.203000    
 H   -1.275600     -0.6419000      -1.575300    
 H  -0.6953000      -2.907200      -2.120500    
 H   -1.927500      -3.556200      -1.033600    
 H  -0.7709000      -2.482400      0.9157000    
 H    1.363300      -3.992200     -0.6581000    
 H  -8.7499999E-02  -4.814300     -5.0900001E-02
 H    1.024900      -4.083100       1.072600    
 H    2.876900      0.2771000       2.419300    
 H    2.281400     -0.5340000      -1.778100    
 H    4.326600       2.176900       1.840300    
 H    3.714200       1.364800      -2.349600    
 H    5.119000       3.217300      -1.597100    
 H    5.369200       3.546500      0.1043000    


%chk=000058022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058022

0 1
O 0.841214 -1.656322 -0.330643
O 1.166538 -1.169627 1.934792
N -2.852770 -1.151226 -0.372845
N 5.453301 2.766422 -0.977241
C -3.545777 0.161528 -0.426352
C -2.573268 1.326460 -0.112297
C -4.710046 0.157536 0.592146
C -3.309919 2.687390 -0.095026
C -5.457167 1.511488 0.620360
C -4.484985 2.680490 0.910910
C -1.914338 -1.451348 -1.476286
C -1.131871 -2.750738 -1.193516
C -0.226286 -2.650563 0.042659
C 0.441009 -3.974710 0.435160
C 1.462173 -0.972484 0.725302
C 2.485686 -0.014336 0.244427
C 3.199659 0.753774 1.204125
C 2.783851 0.166614 -1.133465
C 4.180091 1.673937 0.807789
C 3.763531 1.084571 -1.542254
C 4.480339 1.855753 -0.577003
H -3.983610 0.350954 -1.443787
H -1.750869 1.356641 -0.852418
H -2.111438 1.126985 0.875158
H -4.289230 -0.062404 1.594280
H -5.417888 -0.662472 0.347977
H -2.595987 3.495800 0.154828
H -3.701197 2.909164 -1.110301
H -5.948738 1.681202 -0.360172
H -6.261371 1.481627 1.380893
H -4.082250 2.571409 1.938986
H -5.026723 3.645928 0.876582
H -3.536207 -1.915476 -0.258547
H -2.425938 -1.538044 -2.468194
H -1.190375 -0.621756 -1.560878
H -0.517155 -3.012740 -2.076600
H -1.842204 -3.588493 -1.033799
H -0.787852 -2.222265 0.891999
H 1.035556 -4.380896 -0.403368
H -0.329426 -4.719611 0.708714
H 1.101616 -3.831494 1.306365
H 2.963923 0.607800 2.263713
H 2.237855 -0.424474 -1.874186
H 4.722404 2.258612 1.560863
H 3.984585 1.213235 -2.608973
H 5.672603 2.897654 -1.960545
H 5.966552 3.314907 -0.293132


