%chk=000030777.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030777

0 1
 O   -1.297000     -4.1700002E-02  -2.319800    
 O  -0.2565000      -2.542600       1.367100    
 N   0.7331000      0.2756000      -1.214200    
 N    1.170600     -0.8501000      0.8344000    
 N    2.785300      0.5694000     -1.8000000E-03
 C   -1.130600     -0.7924000     -3.5900000E-02
 C   -1.711200      0.3333000      0.8341000    
 C   -2.248100      -1.789900     -0.3830000    
 C   -2.830500       1.105100      0.1169000    
 C  -0.5894000     -0.1755000      -1.320900    
 C  -3.9000001E-02  -1.494200      0.7632000    
 C   -2.237800     -0.2552000       2.142700    
 C   -3.383300       2.278400      0.9296000    
 C   -1.706700      -2.955300      -1.181000    
 C    1.546300     -2.2500001E-02 -0.1034000    
 C   -4.430900       3.052300      0.1433000    
 C    1.279700       1.053000      -2.326100    
 C    3.671700      0.2893000       1.080500    
 C    4.940600       1.128100      0.9701000    
 C    5.733800      0.8349000     -0.2959000    
 H  -0.9174000       1.049200       1.088500    
 H   -3.039500      -1.332400     -0.9858000    
 H   -2.728100      -2.211200      0.5059000    
 H   -3.674800      0.4500000     -0.1222000    
 H   -2.463600       1.517100     -0.8284000    
 H   -2.451600      0.5518000       2.853300    
 H   -1.521300     -0.8924000       2.665300    
 H   -3.174300     -0.8073000       2.018500    
 H   -2.568500       2.956000       1.209300    
 H   -3.850000       1.924800       1.854400    
 H   -1.206700      -2.642500      -2.102300    
 H   -1.015400      -3.589600     -0.6217000    
 H   -2.539200      -3.602600      -1.481300    
 H   -4.005900       3.465200     -0.7771000    
 H   -5.274800       2.409000     -0.1256000    
 H   -4.815400       3.884300      0.7417000    
 H    2.227300      0.6096000      -2.647400    
 H    1.463700       2.074800      -1.979600    
 H   0.5978000       1.088800      -3.179300    
 H    3.068400       1.271000     -0.6770000    
 H    3.937500     -0.7744000       1.090500    
 H    3.186900      0.5201000       2.036600    
 H    5.575400      0.9274000       1.841200    
 H    4.689300       2.195400      0.9950000    
 H    5.981900     -0.2291000     -0.3648000    
 H    5.186700       1.120400      -1.199100    
 H    6.672000       1.399300     -0.2873000    


%chk=000030777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030777

0 1
O -1.166206 0.183338 -2.375765
O 0.070677 -2.493855 1.282212
N 0.751757 0.675519 -1.153859
N 1.304752 -0.571195 0.859607
N 2.648959 1.211631 0.162090
C -1.017937 -0.775592 -0.103759
C -1.736793 0.297103 0.867819
C -2.002830 -1.880401 -0.568375
C -3.010928 0.910262 0.222286
C -0.509243 0.026819 -1.309803
C 0.166419 -1.374986 0.707319
C -2.050709 -0.310358 2.256349
C -3.393577 2.285852 0.821517
C -1.381405 -2.934102 -1.510884
C 1.545610 0.407829 -0.005430
C -4.680100 2.861200 0.190693
C 1.226917 1.551698 -2.244504
C 3.617404 1.029432 1.260799
C 5.069580 0.902188 0.746593
C 5.307199 -0.364362 -0.101936
H -1.005072 1.119917 1.020544
H -2.854450 -1.398463 -1.078949
H -2.384325 -2.389787 0.333829
H -3.861134 0.211583 0.355781
H -2.873239 1.031509 -0.869490
H -2.573442 0.438387 2.878527
H -1.139140 -0.620847 2.793488
H -2.707225 -1.193925 2.169299
H -2.555317 2.996343 0.665247
H -3.530444 2.201475 1.917994
H -1.021033 -2.471790 -2.447194
H -0.546189 -3.461213 -1.019200
H -2.140511 -3.689348 -1.785188
H -4.566121 2.979077 -0.903321
H -5.541266 2.189277 0.365960
H -4.931427 3.850631 0.615191
H 2.209608 1.217336 -2.622285
H 1.282710 2.609279 -1.922572
H 0.485976 1.478123 -3.055616
H 2.815503 1.973780 -0.494929
H 3.304102 0.118426 1.797423
H 3.535466 1.882770 1.963704
H 5.734801 0.890730 1.632094
H 5.345383 1.808280 0.166834
H 5.098440 -1.276163 0.486067
H 4.646911 -0.384703 -0.988454
H 6.352391 -0.416006 -0.456552


