%chk=000129419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129419

0 1
 O   -2.816000      0.9105000      0.7196000    
 O    2.825800     -0.8908000     -0.7861000    
 N   -9.099900      0.5950000     -0.6571000    
 N    8.662600       1.645100      0.2052000    
 N   -8.603800      -1.617200     -9.0099998E-02
 N    9.011400     -0.6124000      0.6982000    
 C  -0.5372000      0.5319000      8.9000002E-02
 C   0.5362000     -0.5129000     -0.1951000    
 C   -1.858300     -0.1125000      0.4840000    
 C    1.868800      0.1321000     -0.5483000    
 C   -4.128600      0.5959000      0.4807000    
 C    4.134800     -0.5889000     -0.5134000    
 C   -5.011700       1.590200      7.6200001E-02
 C    4.579200      0.7219000     -0.6410000    
 C   -4.562900     -0.7139000      0.6475000    
 C    5.004100      -1.597200     -0.1142000    
 C   -6.791500     -4.1800000E-02   0.000000    
 C    6.790400      2.2500001E-02  3.5799999E-02
 C   -6.347800       1.270200     -0.1649000    
 C    5.911800       1.028700     -0.3653000    
 C   -5.899000      -1.034000      0.4061000    
 C    6.336600      -1.290500      0.1615000    
 C   -8.184900     -0.3746000     -0.2511000    
 C    8.179900      0.3430000      0.3225000    
 H  -0.2108000       1.205600      0.8912000    
 H  -0.6899000       1.167400     -0.7923000    
 H   0.2209000      -1.169900      -1.015300    
 H   0.6702000      -1.165600      0.6770000    
 H   -1.729800     -0.7021000       1.399200    
 H   -2.165500     -0.7742000     -0.3364000    
 H    2.162600      0.7742000      0.2925000    
 H    1.762200      0.7421000      -1.452800    
 H   -4.669300       2.613000     -5.2999999E-02
 H    3.934900       1.528000     -0.9782000    
 H   -3.907600      -1.509000      0.9897000    
 H    4.654100      -2.620900     -1.5600000E-02
 H   -6.998300       2.079300     -0.4782000    
 H    6.213800       2.063300     -0.4853000    
 H   -6.213300      -2.064100      0.5501000    
 H    6.994200      -2.098100      0.4717000    
 H   -8.863800       1.568400     -0.8037000    
 H   -10.06850      0.3435000     -0.8258000    
 H    8.095000       2.434800     -7.5800002E-02
 H    9.635900       1.848500      0.4078000    
 H   -9.605200      -1.650600     -0.3113000    
 H    9.935700     -0.1935000      0.8504000    


%chk=000129419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129419

0 1
O -2.960130 0.863055 -0.294906
O 2.959920 -0.863663 0.126138
N -9.427378 0.727001 0.133770
N 8.978665 1.645723 0.233066
N -8.933003 -1.629276 -0.114282
N 9.384673 -0.717210 -0.102762
C -0.579264 0.495307 -0.202503
C 0.576631 -0.506257 0.022655
C -1.945115 -0.178931 -0.055865
C 1.940983 0.174128 -0.108923
C -4.311209 0.493664 -0.220225
C 4.308723 -0.481878 0.081511
C -5.241116 1.530024 -0.480489
C 4.763274 0.833644 -0.182548
C -4.774191 -0.812975 0.084331
C 5.245682 -1.521617 0.317149
C -7.103913 -0.035497 -0.107045
C 7.097861 0.073531 0.054640
C -6.621014 1.263957 -0.424873
C 6.151509 1.097792 -0.193943
C -6.159317 -1.062790 0.135823
C 6.619718 -1.243249 0.300975
C -8.562990 -0.364403 -0.027579
C 8.575981 0.314139 0.058533
H -0.515162 1.327739 0.524521
H -0.511077 0.942084 -1.212985
H 0.519398 -1.333120 -0.710867
H 0.503034 -0.960986 1.029183
H -2.073304 -0.599951 0.963167
H -2.067518 -0.996988 -0.795972
H 2.053639 0.985938 0.640213
H 2.073645 0.606046 -1.123089
H -4.861579 2.524383 -0.734210
H 4.060779 1.645894 -0.389939
H -4.074386 -1.630645 0.279971
H 4.870380 -2.531277 0.509552
H -7.315708 2.073726 -0.677230
H 6.481769 2.112528 -0.446477
H -6.545491 -2.062498 0.357153
H 7.361771 -2.029593 0.467943
H -9.078400 1.653011 0.369106
H -10.434248 0.580247 0.149336
H 8.324984 2.362879 0.538422
H 9.966816 1.886668 0.198871
H -9.959928 -1.766531 -0.012145
H 10.393105 -0.463374 -0.051572


