%chk=000029088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029088

0 1
 O   0.9695000     -0.9024000      0.1250000    
 O    4.528500       1.274600       2.119200    
 O    4.476700      -1.008400      -2.081300    
 N    2.970200      0.2188000     -8.8000000E-03
 N   0.8457000       1.336000     -0.1731000    
 C    3.822600       1.418300     -0.1618000    
 C    3.698800      -1.054900      0.1801000    
 C    1.619100      0.2839000     -2.7600000E-02
 C  -0.3462000     -0.5548000      6.8899997E-02
 C  -0.4120000      0.8009000     -0.1115000    
 C    3.955100       2.155000       1.161400    
 C    3.795500      -1.817500      -1.131500    
 C   -1.283800      -1.631800      0.2046000    
 C   -1.616500       1.574300     -0.2231000    
 C   -2.541100      -1.404300      0.7745000    
 C  -0.9495000      -2.918600     -0.2307000    
 C   -2.210700       2.108900      0.9200000    
 C   -2.192600       1.791200      -1.474900    
 C   -3.453200      -2.451200      0.9078000    
 C   -1.861600      -3.965500     -9.7499996E-02
 C   -3.381000       2.860000      0.8117000    
 C   -3.362900       2.542400      -1.583300    
 C   -3.113500      -3.731700      0.4718000    
 C   -3.957100       3.076800     -0.4399000    
 H    4.817200       1.130400     -0.5228000    
 H    3.395200       2.085300     -0.9200000    
 H    4.711100     -0.8559000      0.5513000    
 H    3.207000      -1.669700      0.9434000    
 H    2.981600       2.479900       1.540700    
 H    4.597600       3.035000       1.060500    
 H    2.806700      -2.062800      -1.531200    
 H    4.359900      -2.744500     -0.9918000    
 H   -2.839800     -0.4379000       1.159600    
 H   1.6500000E-02  -3.128400     -0.6844000    
 H   -1.773300       1.951100       1.903200    
 H   -1.741800       1.381500      -2.375900    
 H   -4.425200      -2.271500       1.358100    
 H   -1.597900      -4.962600     -0.4380000    
 H   -3.843600       3.276300       1.701700    
 H   -3.811700       2.711300      -2.557800    
 H   -3.823000      -4.547200      0.5769000    
 H   -4.868300       3.661600     -0.5243000    
 H    5.425000       1.054200       1.813800    
 H    4.531200      -1.521100      -2.905700    


%chk=000029088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029088

0 1
O 0.760784 -1.043087 0.026612
O 5.565922 0.844017 1.401390
O 5.587286 -0.473628 -1.014180
N 2.802660 0.187070 0.111602
N 0.612405 1.249957 0.018416
C 3.509848 1.493160 0.085225
C 3.549751 -1.085600 0.198848
C 1.433791 0.197144 0.056579
C -0.645337 -0.691949 -0.016073
C -0.700953 0.704609 -0.049531
C 4.421812 1.754513 1.299565
C 4.422647 -1.392022 -1.027275
C -1.565651 -1.822748 0.075872
C -1.843823 1.627082 -0.193118
C -2.871601 -1.678225 0.629971
C -1.151494 -3.118439 -0.352608
C -1.730069 2.947670 0.322423
C -3.034622 1.262843 -0.880280
C -3.736670 -2.786505 0.725368
C -2.019621 -4.224145 -0.247994
C -2.790952 3.866943 0.185211
C -4.092375 2.185578 -1.019892
C -3.320377 -4.066015 0.285200
C -3.980293 3.489798 -0.481836
H 4.113787 1.555427 -0.840563
H 2.729817 2.271962 0.041071
H 4.190882 -1.073027 1.098939
H 2.816442 -1.900976 0.305960
H 3.851485 1.652762 2.240410
H 4.780220 2.804848 1.223426
H 3.843764 -1.257703 -1.962207
H 4.774511 -2.441708 -0.956487
H -3.197389 -0.702816 1.004144
H -0.146470 -3.245989 -0.767096
H -0.798469 3.234436 0.819951
H -3.123179 0.266373 -1.325623
H -4.734582 -2.654000 1.158473
H -1.682182 -5.210823 -0.585266
H -2.689273 4.878625 0.594119
H -5.000248 1.890612 -1.558265
H -3.995203 -4.925298 0.364590
H -4.803967 4.204293 -0.590503
H 5.792919 0.484393 0.493526
H 6.218465 -0.694410 -1.740792


