%chk=000041636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041636

0 1
 O   -3.494500       2.772000     -0.1238000    
 N    4.797500      0.4491000     -0.6370000    
 N   -1.588100      -2.368400     -0.1057000    
 C    2.015700      0.1954000      0.2675000    
 C    2.963300       1.270300      0.8150000    
 C    2.824600      -1.001500     -0.2482000    
 C    1.008300     -0.2395000       1.328100    
 C    4.042000       1.627800     -0.2072000    
 C    3.909500     -0.5544000      -1.227900    
 C  -0.2101000     -0.8701000      0.7110000    
 C   -1.377000     -0.1887000      0.3200000    
 C  -0.3478000      -2.197200      0.4481000    
 C   -2.239000      -1.158600     -0.1960000    
 C   -1.804000       1.153900      0.3455000    
 C   -3.511800     -0.8519000     -0.6899000    
 C   -3.074800       1.475400     -0.1452000    
 C   -3.913800      0.4864000     -0.6545000    
 H    1.480500      0.6379000     -0.5850000    
 H    3.439200      0.9138000       1.737900    
 H    2.397600       2.172700       1.075600    
 H    2.173900      -1.720100     -0.7575000    
 H    3.292700      -1.531300      0.5919000    
 H   0.6856000      0.6283000       1.918000    
 H    1.467400     -0.9333000       2.044200    
 H    3.591200       2.123000      -1.076100    
 H    4.736600       2.345300      0.2433000    
 H    4.507800      -1.424600      -1.519600    
 H    3.453000     -0.1598000      -2.144000    
 H    5.494200      0.7294000      -1.326500    
 H   0.3085000      -3.042800      0.5994000    
 H   -1.971400      -3.254500     -0.4048000    
 H   -1.151800       1.928200      0.7402000    
 H   -4.165800      -1.621200      -1.086600    
 H   -4.898500      0.7520000      -1.032300    
 H   -2.792300       3.324800      0.2600000    


%chk=000041636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041636

0 1
O -3.274299 2.750384 -0.717458
N 4.670740 0.544208 -0.813259
N -1.731025 -2.529638 0.258930
C 2.019531 0.268680 0.391006
C 3.149512 1.095681 1.053456
C 2.636601 -0.828790 -0.510136
C 1.060546 -0.321966 1.468194
C 4.124549 1.655485 -0.004598
C 3.622979 -0.218596 -1.528515
C -0.185470 -0.967998 0.913994
C -1.328101 -0.281720 0.332148
C -0.474296 -2.332770 0.849615
C -2.280342 -1.282752 -0.069454
C -1.637895 1.091336 0.125101
C -3.515820 -0.947848 -0.667291
C -2.872152 1.416312 -0.469770
C -3.804865 0.413799 -0.866222
H 1.431482 0.950373 -0.262413
H 3.716872 0.448440 1.751282
H 2.719333 1.930979 1.641978
H 1.837925 -1.379088 -1.042580
H 3.185296 -1.553564 0.124554
H 0.774735 0.496425 2.162490
H 1.628788 -1.056687 2.072954
H 3.574064 2.408221 -0.628416
H 4.963022 2.182195 0.488051
H 4.107051 -1.019050 -2.118428
H 3.041873 0.421237 -2.242813
H 5.434345 0.843463 -1.432258
H 0.124410 -3.176510 1.188966
H -2.178474 -3.430168 0.107710
H -0.933111 1.876395 0.428006
H -4.237246 -1.714729 -0.969832
H -4.745433 0.733997 -1.323486
H -2.576724 3.382063 -0.413606


