%chk=000052036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052036

1 1
 O  -0.2860000      -1.409700      0.1062000    
 N   -2.789700     -0.2289000     -3.5500001E-02
 N   0.8333000      0.6468000      0.2988000    
 C   -1.619800      0.4889000      0.6219000    
 C   -4.085600      0.4900000      0.3111000    
 C   -2.599100     -0.2317000      -1.545400    
 C   -2.854300      -1.662800      0.4704000    
 C  -0.3025000     -0.1923000      0.3048000    
 C   -4.269300      0.4896000       1.812900    
 C   -3.764700     -0.9464000      -2.193500    
 C   0.7347000       2.093900      0.5447000    
 C    2.168800      0.1050000      0.1487000    
 C   0.5253000       2.862700     -0.7435000    
 C    2.408500      -1.157100      0.6210000    
 C    3.115400      0.8856000     -0.4580000    
 C    3.694000      -1.678900      0.4756000    
 C    4.400800      0.3638000     -0.6036000    
 C    4.690100     -0.9184000     -0.1367000    
 H   -1.680100       1.516300      0.2664000    
 H   -1.732000      0.4586000       1.709300    
 H   -4.036700       1.508200     -9.0499997E-02
 H   -4.928400     -4.1200001E-02 -0.1385000    
 H   -2.535900      0.8092000      -1.882700    
 H   -1.665800     -0.7425000      -1.797800    
 H   -2.294200      -2.334300     -0.1868000    
 H   -2.474000      -1.716100       1.495700    
 H   -3.897600      -1.998400      0.4636000    
 H   -5.270100      0.8779000       2.039000    
 H   -4.216000     -0.4981000       2.276700    
 H   -3.576200       1.163300       2.324500    
 H   -3.542800      -1.070300      -3.260600    
 H   -3.955200      -1.949800      -1.805800    
 H   -4.691100     -0.3663000      -2.158400    
 H  -6.6500001E-02   2.311000       1.257400    
 H    1.645300       2.442000       1.048700    
 H    1.242900       2.636700      -1.533300    
 H  -0.4614000       2.654100      -1.169400    
 H   0.5711000       3.938700     -0.5459000    
 H    1.688800      -1.757300       1.164000    
 H    2.959600       1.887600     -0.8270000    
 H    3.924200      -2.670900      0.8534000    
 H    5.178400      0.9567000      -1.076600    
 H    5.692100      -1.322800     -0.2459000    


%chk=000052036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052036

1 1
O -0.188008 -1.245137 -0.618455
N -2.861292 -0.299439 -0.178225
N 0.821042 0.558933 0.473114
C -1.655552 0.456933 0.401222
C -4.156119 0.455240 0.241732
C -2.768509 -0.286219 -1.740178
C -2.902487 -1.737960 0.348282
C -0.272809 -0.151173 0.026307
C -4.399723 0.586788 1.749720
C -3.912351 -0.995236 -2.472478
C 0.742366 1.885899 1.158920
C 2.163122 0.060984 0.170087
C 0.853766 3.070436 0.176422
C 3.020410 -0.292880 1.236938
C 2.601137 -0.034492 -1.169889
C 4.331078 -0.739004 0.957486
C 3.910257 -0.487530 -1.441374
C 4.777940 -0.836464 -0.380421
H -1.737879 1.500760 0.050059
H -1.775100 0.449422 1.497258
H -4.095258 1.448728 -0.237442
H -4.983774 -0.100897 -0.225310
H -2.722517 0.782304 -2.019570
H -1.804247 -0.764203 -1.968764
H -2.064367 -2.288616 -0.098998
H -2.791914 -1.722184 1.442510
H -3.869968 -2.185262 0.079583
H -5.374625 1.088227 1.884000
H -4.471766 -0.387913 2.259334
H -3.650942 1.210427 2.265510
H -3.682806 -0.948650 -3.551985
H -3.985155 -2.064717 -2.214471
H -4.897724 -0.519667 -2.337434
H -0.186828 1.949157 1.752330
H 1.575227 1.924196 1.880804
H 1.797828 3.015429 -0.391564
H 0.019134 3.088196 -0.548796
H 0.844262 4.024976 0.731438
H 2.665082 -0.238585 2.272371
H 1.924536 0.229057 -1.988853
H 4.996491 -1.017008 1.781083
H 4.252981 -0.565536 -2.478175
H 5.793359 -1.184917 -0.594726


