%chk=000100028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100028

0 1
 O   -3.466600     -0.5113000      0.2057000    
 N   -2.211300       1.996200      0.4380000    
 C    2.115000     -0.1395000     -0.5431000    
 C    2.862900      0.3773000      0.7029000    
 C   0.6123000     -0.2334000     -0.3415000    
 C    2.439700      0.7356000      -1.760000    
 C  -9.7499996E-02  0.9147000     -4.8000000E-02
 C    2.727800     -0.5465000       1.907300    
 C  -2.7000001E-03  -1.464700     -0.4563000    
 C   -1.477200      0.8279000      0.1382000    
 C   -1.382600      -1.551300     -0.2703000    
 C   -2.119700     -0.4051000      2.7000001E-02
 H    2.504900      -1.142400     -0.7661000    
 H    2.523100       1.381600      0.9821000    
 H    3.930300      0.4678000      0.4642000    
 H    2.157600       1.782500      -1.603900    
 H    3.514200      0.7124000      -1.972700    
 H    1.916100      0.3769000      -2.653300    
 H   0.3976000       1.877900      3.9400000E-02
 H   0.5603000      -2.364100     -0.6865000    
 H    3.341600     -0.1756000       2.734600    
 H    1.693400     -0.6006000       2.259900    
 H    3.064800      -1.559300       1.664800    
 H   -1.876900      -2.515100     -0.3579000    
 H   -1.718900       2.877000      0.5172000    
 H   -3.190000       1.969700      0.6804000    
 H   -3.865700      0.3696000      0.2690000    


%chk=000100028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100028

0 1
O -3.559317 -0.488123 0.178234
N -2.436560 1.926281 0.430583
C 2.156107 -0.126632 -0.549515
C 2.894904 0.354224 0.735159
C 0.640771 -0.227477 -0.350596
C 2.512138 0.782906 -1.755870
C -0.138451 0.921446 -0.048942
C 2.748405 -0.608361 1.932517
C -0.029505 -1.473449 -0.468102
C -1.532767 0.823621 0.125373
C -1.426860 -1.594385 -0.297553
C -2.180504 -0.440526 0.000049
H 2.530104 -1.147036 -0.776246
H 2.517973 1.358846 1.016617
H 3.969180 0.483081 0.491755
H 2.189752 1.826087 -1.576134
H 3.604549 0.794157 -1.929790
H 2.016731 0.432691 -2.679172
H 0.341225 1.903750 0.050291
H 0.556362 -2.371783 -0.699064
H 3.288215 -0.228963 2.819644
H 1.686725 -0.740559 2.208305
H 3.158341 -1.607139 1.689222
H -1.933507 -2.559403 -0.391271
H -2.520485 2.631958 -0.308854
H -2.300733 2.355238 1.352061
H -3.800291 0.477751 0.372397


