%chk=000001627.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001627

0 1
 O    2.045000      -2.138200     -5.1800001E-02
 O    1.293600       3.205700     -0.3244000    
 O   -1.219400      -2.975500      -1.135200    
 N    4.244400     -0.5110000     -0.2815000    
 N  -0.9870000       1.287700     -7.5400002E-02
 C    5.290600      1.1800000E-02  0.5929000    
 C    4.657600      -1.310900      0.8682000    
 C    2.999500      5.2900001E-02 -0.2402000    
 C    6.708700      7.3500000E-02  0.1635000    
 C   0.5436000     -0.3265000     -7.0000000E-02
 C    1.857800     -0.9285000     -0.1131000    
 C   0.3572000       1.037200     -0.1397000    
 C    2.787000       1.382100     -0.3063000    
 C  -0.7386000     -0.9208000      4.1600000E-02
 C   -1.665000      0.1003000      3.5300002E-02
 C    1.424100       1.987500     -0.2602000    
 C   -1.032600      -2.366400      0.1443000    
 C   -3.108100      2.7500000E-02  0.1247000    
 C   -1.601000       2.599100     -0.1171000    
 C   -3.726600      6.4499997E-02   1.371600    
 C   -3.869900     -7.9999998E-02  -1.035900    
 C   -5.116900     -6.5000001E-03   1.458700    
 C   -5.260300     -0.1510000     -0.9487000    
 C   -5.883800     -0.1142000      0.2987000    
 H    5.021600      0.8362000       1.242600    
 H    5.171600      -2.217400      0.5837000    
 H    3.970300      -1.374500       1.700600    
 H    7.371200      1.7200001E-02   1.032800    
 H    6.969000     -0.7435000     -0.5177000    
 H    6.904900       1.018500     -0.3526000    
 H    3.610900       2.082400     -0.4078000    
 H  -0.2287000      -2.904400      0.6547000    
 H   -1.937900      -2.548800      0.7338000    
 H   -1.328200       3.073300      -1.063700    
 H   -2.687600       2.539300     -4.9500000E-02
 H   -1.222500       3.179700      0.7285000    
 H   -3.142400      0.1482000       2.284800    
 H   -3.398300     -0.1102000      -2.015100    
 H   -1.992000      -2.553900      -1.548900    
 H   -5.602400      2.2100000E-02   2.429800    
 H   -5.857500     -0.2349000      -1.851900    
 H   -6.966300     -0.1696000      0.3665000    


%chk=000001627-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001627

0 1
O 2.094865 -2.094314 0.650705
O 1.329439 3.288589 -0.478767
O -2.062011 -2.935785 -0.426763
N 4.293621 -0.487965 0.089233
N -0.987529 1.330267 -0.210721
C 5.574044 -0.022486 0.679012
C 4.956079 -1.382702 1.060900
C 3.036896 0.083313 0.098797
C 6.790772 0.080669 -0.222819
C 0.543892 -0.299003 0.169903
C 1.873835 -0.881973 0.325502
C 0.373979 1.077926 -0.117988
C 2.824065 1.433756 -0.147078
C -0.756916 -0.904131 0.253516
C -1.697217 0.127546 0.012506
C 1.493151 2.029939 -0.264645
C -1.046485 -2.375893 0.477428
C -3.173886 0.047782 -0.003796
C -1.588033 2.661441 -0.432120
C -3.851845 -0.638181 1.045320
C -3.952127 0.605171 -1.057064
C -5.258090 -0.764559 1.039099
C -5.358089 0.484882 -1.058058
C -6.018358 -0.200771 -0.011669
H 5.472073 0.773226 1.433308
H 5.383973 -2.300607 0.644734
H 4.491980 -1.493839 2.047288
H 7.717141 0.023432 0.377135
H 6.798728 -0.740582 -0.959763
H 6.796872 1.037294 -0.775586
H 3.669212 2.117045 -0.284328
H -0.132140 -2.954724 0.281379
H -1.328981 -2.560567 1.537581
H -1.761709 2.839222 -1.508286
H -2.547555 2.723804 0.104257
H -0.883524 3.426395 -0.076368
H -3.272560 -1.050138 1.879787
H -3.452281 1.102617 -1.895012
H -2.925214 -2.468284 -0.282806
H -5.757965 -1.294862 1.856934
H -5.937154 0.914198 -1.882912
H -7.109346 -0.297152 -0.017176


