%chk=000028829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028829

0 1
 N  -0.5444000     -0.2905000     -0.5401000    
 N    3.133000     -0.4676000      0.1266000    
 C   -1.262700      0.8759000     -0.5050000    
 C   -2.576900      0.5609000     -0.2114000    
 C   0.8734000     -0.4046000     -0.8203000    
 C    1.714100     -0.3227000      0.4505000    
 C  -0.6320000       2.200700     -0.7553000    
 C   -3.691200       1.545400     -8.2999997E-02
 C   -1.360500      -1.364100     -0.2743000    
 C    3.572200      0.6213000     -0.7575000    
 C    3.938800     -0.5122000       1.354900    
 C   -2.645900     -0.8621000     -6.3900001E-02
 C  -0.9192000       3.199600      0.3662000    
 C   -3.393000       2.670700      0.9098000    
 C   -2.368000       3.697400      0.4152000    
 C    5.042400      0.4576000      -1.145700    
 C    5.421200     -0.7129000       1.035600    
 C    5.934600      0.3640000      8.6800002E-02
 C   -1.057800      -2.729000     -0.2060000    
 C   -3.681800      -1.774600      0.2294000    
 C   -2.101200      -3.610600      8.6400002E-02
 C   -3.394900      -3.142600      0.3011000    
 H    1.041200      -1.362100      -1.328300    
 H    1.097500      0.3533000      -1.572200    
 H    1.521400      0.6211000      0.9779000    
 H    1.407500      -1.129800       1.128400    
 H   0.4554000       2.141100     -0.8448000    
 H  -0.9964000       2.596500      -1.711300    
 H   -3.920600       1.964500      -1.070400    
 H   -4.598300       1.028200      0.2516000    
 H    3.420900       1.599500     -0.2824000    
 H    3.032100      0.6280000      -1.707000    
 H    3.610500      -1.347800       1.985000    
 H    3.810000      0.4079000       1.940200    
 H  -0.6366000       2.777300       1.338800    
 H  -0.2760000       4.074700      0.2073000    
 H   -4.332200       3.206800       1.097300    
 H   -3.071100       2.257200       1.873800    
 H   -2.666300       4.082200     -0.5676000    
 H   -2.399600       4.552200       1.102800    
 H    5.358800       1.304300      -1.765700    
 H    5.164300     -0.4477000      -1.754200    
 H    5.568500      -1.700900      0.5811000    
 H    6.005000     -0.6975000       1.962800    
 H    6.965600      0.1435000     -0.2106000    
 H    5.947500       1.331400      0.6037000    
 H  -5.3900000E-02  -3.107200     -0.3654000    
 H   -4.697400      -1.428800      0.4001000    
 H   -1.898800      -4.676700      0.1481000    
 H   -4.191800      -3.845900      0.5275000    


%chk=000028829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028829

0 1
N -0.554659 -0.303792 -0.647247
N 3.190951 -0.325685 0.061464
C -1.336511 0.877836 -0.571377
C -2.641512 0.544939 -0.189299
C 0.882653 -0.392546 -0.931585
C 1.746887 -0.153413 0.333825
C -0.778460 2.243666 -0.886766
C -3.791711 1.508298 -0.001501
C -1.359504 -1.397404 -0.292106
C 3.783979 0.837653 -0.649559
C 3.962554 -0.653459 1.290384
C -2.678818 -0.892855 -0.007732
C -1.032677 3.303291 0.221521
C -3.491109 2.707404 0.938407
C -2.506563 3.757743 0.366325
C 5.248964 0.563083 -1.046158
C 5.432247 -0.977958 0.955183
C 6.092767 0.195177 0.195171
C -1.043494 -2.771645 -0.204143
C -3.697591 -1.809020 0.366892
C -2.074811 -3.657896 0.170851
C -3.389196 -3.180991 0.453368
H 1.109075 -1.396977 -1.327524
H 1.142759 0.327255 -1.727200
H 1.512750 0.858520 0.754390
H 1.442868 -0.894096 1.096606
H 0.310900 2.179205 -1.065382
H -1.223619 2.619456 -1.832736
H -4.126529 1.912420 -0.981644
H -4.656455 0.950190 0.406052
H 3.742182 1.757802 -0.005725
H 3.188110 1.047615 -1.556511
H 3.483093 -1.523086 1.777197
H 3.934773 0.197063 2.022968
H -0.670231 2.908291 1.191639
H -0.417184 4.195330 -0.013515
H -4.448430 3.221662 1.160334
H -3.102620 2.323728 1.903041
H -2.877474 4.097245 -0.624644
H -2.527742 4.649539 1.025112
H 5.665629 1.455965 -1.550997
H 5.270762 -0.273713 -1.770519
H 5.460313 -1.889293 0.326934
H 5.981763 -1.197710 1.890763
H 7.125931 -0.066666 -0.101512
H 6.162090 1.076270 0.866667
H -0.036934 -3.149254 -0.416062
H -4.712471 -1.456457 0.585217
H -1.862861 -4.730519 0.246212
H -4.167433 -3.896911 0.741423


