%chk=000026329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026329

0 1
 O  -0.5146000      -2.103000      0.7058000    
 N    3.288500      0.3642000     -0.4081000    
 N  -0.9457000      0.1685000      0.2832000    
 C    1.884000      8.5000005E-03 -0.6184000    
 C    1.315700     -0.5672000      0.6847000    
 C    4.071500     -0.8254000     -7.8100003E-02
 C    3.407600       1.365900      0.6498000    
 C    1.797900     -0.9912000      -1.771100    
 C  -0.1542000     -0.9382000      0.5628000    
 C    5.540400     -0.4947000      8.6700000E-02
 C    2.603800       2.609300      0.3298000    
 C   -2.348800      0.2015000      0.1034000    
 C   -2.968500       1.409400     -0.1714000    
 C   -3.073300     -0.9745000      0.2067000    
 C   -4.351700       1.442100     -0.3481000    
 C   -4.456600     -0.9417000      2.9999999E-02
 C   -5.095800      0.2667000     -0.2475000    
 H    1.317300      0.8817000     -0.9562000    
 H    1.357300      0.1333000       1.524800    
 H    1.810900      -1.490100       1.002200    
 H    3.765800      -1.322600      0.8469000    
 H    4.032800      -1.565400     -0.8830000    
 H    3.187900      0.9996000       1.658400    
 H    4.446100       1.716200      0.6886000    
 H    2.071000      -2.012000      -1.483600    
 H    2.415400     -0.6835000      -2.623100    
 H   0.7660000      -1.044200      -2.139100    
 H    5.918300      0.1019000     -0.7507000    
 H    5.750500      3.4200002E-02   1.021700    
 H    6.126300      -1.420700      0.1149000    
 H    2.768100       2.948800     -0.6989000    
 H    1.530500       2.472300      0.4913000    
 H    2.914200       3.426600      0.9910000    
 H  -0.4855000       1.072900      0.2144000    
 H   -2.398300       2.330700     -0.2521000    
 H   -2.652800      -1.946300      0.4185000    
 H   -4.849600       2.382900     -0.5641000    
 H   -5.037400      -1.856300      0.1081000    
 H   -6.172800      0.2923000     -0.3851000    


%chk=000026329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026329

0 1
O -0.685997 -2.305474 0.037645
N 3.293440 0.310340 -0.167826
N -1.114349 -0.042080 0.512060
C 1.935108 -0.177880 -0.526432
C 1.189513 -0.859939 0.691626
C 4.221198 -0.711843 0.385514
C 3.303327 1.591000 0.581457
C 1.961740 -1.106214 -1.757363
C -0.276581 -1.159547 0.395886
C 5.690948 -0.442547 0.005329
C 2.990016 2.816413 -0.301114
C -2.513933 0.062205 0.267721
C -3.121352 1.331038 0.476838
C -3.308056 -1.033010 -0.168313
C -4.501715 1.506132 0.254020
C -4.689445 -0.839805 -0.386529
C -5.297193 0.419819 -0.180131
H 1.353416 0.722215 -0.808470
H 1.281416 -0.202038 1.579494
H 1.676565 -1.822063 0.921563
H 4.132937 -0.791552 1.497274
H 3.932502 -1.697421 -0.021396
H 2.603329 1.571824 1.457555
H 4.314484 1.720142 1.008117
H 2.500449 -2.048743 -1.552073
H 2.464430 -0.594095 -2.595344
H 0.937308 -1.380534 -2.062939
H 5.804472 -0.437735 -1.092537
H 6.043247 0.533644 0.386255
H 6.349809 -1.224196 0.428325
H 3.716995 2.880845 -1.128994
H 1.978884 2.764951 -0.744669
H 3.046438 3.746819 0.294750
H -0.662234 0.821166 0.824238
H -2.511628 2.180131 0.814021
H -2.836922 -2.004846 -0.324147
H -4.954764 2.489967 0.419371
H -5.295493 -1.688986 -0.722165
H -6.370108 0.554396 -0.353517


