%chk=000068906.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068906

0 1
 O    6.675900      0.1446000     -9.6299998E-02
 N    3.041700     -0.4576000     -0.2301000    
 C   0.2056000      9.7000003E-03  0.3471000    
 C   -1.135100     -0.4984000      0.8702000    
 C   -2.284300     -0.4208000     -0.1600000    
 C   0.6750000     -0.8139000     -0.8569000    
 C    1.274000     -2.3600001E-02   1.445300    
 C    2.064500     -0.3751000      -1.323800    
 C    2.643300      0.3896000      0.9019000    
 C   -2.525200       1.003800     -0.7083000    
 C   -3.546300      -1.072000      0.4527000    
 C    4.374000     -8.4500000E-02 -0.7048000    
 C   -2.961500       2.034400      0.3361000    
 C   -4.739300      -1.137400     -0.5037000    
 C    5.396900     -0.2101000      0.4129000    
 C   -3.245400       3.384200     -0.3071000    
 C   -5.913700      -1.872900      0.1247000    
 H   0.1057000       1.057100      3.7900001E-02
 H   -1.019900      -1.541500       1.195000    
 H   -1.411900      6.5099999E-02   1.770200    
 H   -2.018000      -1.048500      -1.019500    
 H  -1.0300000E-02 -0.6987000      -1.703000    
 H   0.6957000      -1.881200     -0.6008000    
 H    1.341100      -1.032800       1.872900    
 H   0.9895000      0.6494000       2.263300    
 H    2.371300      -1.033500      -2.145800    
 H    2.012200      0.6454000      -1.726000    
 H    2.626800       1.449700      0.6170000    
 H    3.320900      0.2831000       1.753100    
 H   -1.623000       1.364100      -1.215700    
 H   -3.282400      0.9572000      -1.500400    
 H   -3.294800      -2.095000      0.7631000    
 H   -3.839000     -0.5409000       1.366600    
 H    4.675900     -0.7415000      -1.530700    
 H    4.391000      0.9372000      -1.107600    
 H   -2.180600       2.162600       1.092900    
 H   -3.867200       1.699800      0.8520000    
 H   -5.073300     -0.1297000     -0.7712000    
 H   -4.448200      -1.645700      -1.430000    
 H    5.225000      0.4812000       1.239500    
 H    5.449000      -1.229300      0.8099000    
 H   -4.050400       3.306000      -1.044900    
 H   -3.551500       4.109300      0.4536000    
 H   -2.354400       3.774400     -0.8093000    
 H   -6.247000      -1.371100       1.038700    
 H   -6.757000      -1.905500     -0.5722000    
 H   -5.642200      -2.902900      0.3770000    
 H    6.893300     -0.4821000     -0.8073000    


%chk=000068906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068906

0 1
O 6.896299 -0.230970 -0.044642
N 3.091454 -0.246409 -0.182145
C 0.189727 0.078159 0.361734
C -1.167674 -0.480657 0.856134
C -2.343489 -0.460472 -0.163245
C 0.732260 -0.662908 -0.885816
C 1.253954 0.007920 1.484875
C 2.120315 -0.133739 -1.299214
C 2.625728 0.517155 1.003907
C -2.597147 0.947033 -0.777934
C -3.608580 -1.073691 0.500317
C 4.477891 0.097158 -0.575294
C -3.017469 2.053561 0.218237
C -4.827679 -1.245853 -0.434433
C 5.520829 -0.627226 0.302742
C -3.238126 3.414062 -0.479061
C -5.995693 -1.988790 0.251131
H 0.059070 1.149418 0.091321
H -1.012430 -1.531029 1.183652
H -1.468092 0.080063 1.766577
H -2.069669 -1.130104 -1.008580
H 0.038543 -0.551724 -1.741355
H 0.813704 -1.744798 -0.658433
H 1.360806 -1.042479 1.821606
H 0.926333 0.606183 2.358419
H 2.506054 -0.718115 -2.155871
H 2.015466 0.931138 -1.641719
H 2.550561 1.612354 0.765285
H 3.370207 0.412001 1.813878
H -1.680968 1.280196 -1.307434
H -3.376818 0.862433 -1.562253
H -3.337074 -2.070418 0.908560
H -3.905925 -0.459935 1.376315
H 4.625564 -0.218670 -1.628210
H 4.678124 1.196547 -0.536518
H -2.244001 2.167812 1.003704
H -3.948680 1.756602 0.740039
H -5.182255 -0.255225 -0.780992
H -4.516486 -1.801557 -1.343058
H 5.418292 -0.341475 1.362067
H 5.375006 -1.723628 0.219721
H -4.032024 3.341917 -1.246609
H -3.535906 4.197148 0.242542
H -2.314911 3.754456 -0.985637
H -6.337183 -1.442438 1.150852
H -6.862113 -2.097911 -0.427051
H -5.687182 -3.001565 0.572693
H 7.087789 -0.519830 -0.972603


