%chk=000160261.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160261

0 1
 O  -3.0000001E-04  -3.217700     -3.9999999E-04
 O    5.060600      0.2790000      -1.358200    
 O   -5.061300      0.2791000       1.357700    
 N    5.231700       2.423700      0.3581000    
 N   -5.231200       2.424000     -0.3584000    
 C   0.7037000      -1.071500     -0.1127000    
 C  -0.7039000      -1.071500      0.1132000    
 C    1.082100      -2.409100     -0.1736000    
 C   -1.082500      -2.409000      0.1733000    
 C    1.696800     -8.7499999E-02 -0.2718000    
 C   -1.696900     -8.7499999E-02  0.2730000    
 C    3.021200     -0.4933000     -0.4847000    
 C   -3.021400     -0.4933000      0.4853000    
 C    2.390100      -2.842700     -0.3834000    
 C   -2.390600      -2.842700      0.3829000    
 C    3.359200      -1.847500     -0.5387000    
 C   -3.359500      -1.847400      0.5388000    
 C    4.058400      0.5132000     -0.6520000    
 C   -4.058600      0.5134000      0.6522000    
 C    3.916700       1.874300      4.6599999E-02
 C   -3.916300       1.874600     -4.6100002E-02
 C    5.969200       1.522100       1.244600    
 C    5.105000       3.747100      0.9703000    
 C   -5.968100       1.522800      -1.245500    
 C   -5.104000       3.747600     -0.9703000    
 H    1.415800      0.9607000     -0.2431000    
 H   -1.415800      0.9607000      0.2448000    
 H    2.644800      -3.895200     -0.4231000    
 H   -2.645400      -3.895100      0.4220000    
 H    4.390700      -2.154600     -0.6990000    
 H   -4.391000      -2.154500      0.6988000    
 H    3.321500       1.763600      0.9609000    
 H    3.381600       2.533300     -0.6474000    
 H   -3.320600       1.764000     -0.9602000    
 H   -3.381600       2.533500      0.6483000    
 H    6.937000       1.964700       1.509600    
 H    5.426200       1.327400       2.177200    
 H    6.208500      0.5616000      0.7797000    
 H    6.093600       4.181400       1.156800    
 H    4.583600       4.434500      0.2949000    
 H    4.557400       3.714100       1.919200    
 H   -5.424600       1.328200      -2.177800    
 H   -6.935800       1.965500      -1.511000    
 H   -6.207800      0.5622000     -0.7809000    
 H   -6.092400       4.182100      -1.157200    
 H   -4.555800       3.714800      -1.918900    
 H   -4.582900       4.434800     -0.2943000    


%chk=000160261-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160261

0 1
O -0.000145 -3.695674 -0.000189
O 5.422034 -0.262498 0.220488
O -5.421867 -0.261732 -0.220665
N 4.995988 2.550224 0.077231
N -4.995435 2.550893 -0.077164
C 0.731247 -1.466297 0.028343
C -0.731250 -1.466199 -0.028396
C 1.126167 -2.837190 0.044197
C -1.126347 -2.837038 -0.044452
C 1.726922 -0.469496 0.070120
C -1.726797 -0.469264 -0.070029
C 3.091837 -0.860262 0.123383
C -3.091762 -0.859847 -0.123354
C 2.460974 -3.260408 0.097251
C -2.461208 -3.260075 -0.097573
C 3.438484 -2.247895 0.137065
C -3.438589 -2.247432 -0.137245
C 4.224379 0.134029 0.156963
C -4.224168 0.134605 -0.156795
C 3.859251 1.629143 0.115424
C -3.858818 1.629662 -0.115224
C 5.815429 2.550028 1.306902
C 4.595784 3.908980 -0.335870
C -5.814780 2.550721 -1.306895
C -4.595093 3.909622 0.335897
H 1.443536 0.587489 0.063048
H -1.443275 0.587683 -0.062806
H 2.723640 -4.321145 0.106588
H -2.724011 -4.320778 -0.107065
H 4.503094 -2.499258 0.177960
H -4.503232 -2.498650 -0.178185
H 3.171637 1.823516 0.987358
H 3.247173 1.791400 -0.794624
H -3.171086 1.823930 -0.987089
H -3.246812 1.791834 0.794888
H 6.675320 3.228518 1.168351
H 5.245334 2.891605 2.209479
H 6.205155 1.537160 1.488171
H 5.498186 4.535502 -0.448125
H 4.085734 3.872693 -1.315762
H 3.914824 4.420157 0.393343
H -5.244576 2.892169 -2.209452
H -6.674599 3.229326 -1.168453
H -6.204615 1.537887 -1.488127
H -5.497427 4.536261 0.448043
H -3.914010 4.420674 -0.393289
H -4.085126 3.873324 1.315832


