%chk=000080778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080778

0 1
 O   -4.141100      0.7971000     -9.2100002E-02
 N    2.456600     -0.3502000      2.2900000E-02
 N   -2.371100     -0.7320000      0.2039000    
 C    1.178800      0.2386000     -7.7299997E-02
 C    3.650000      0.4484000     -0.1736000    
 C    2.593200      -1.758500      0.3374000    
 C   3.5999998E-02 -0.5380000      0.1131000    
 C    1.058200       1.597600     -0.3671000    
 C   -1.227600      4.4500001E-02  1.3600000E-02
 C    4.111000       1.076800       1.130700    
 C    2.574800      -2.606700     -0.9229000    
 C  -0.2053000       2.180200     -0.4665000    
 C   -1.348200       1.403600     -0.2762000    
 C   -3.711400     -0.3274000      0.1442000    
 C   -4.654000      -1.474100      0.4100000    
 H    4.460200     -0.2062000     -0.5227000    
 H    3.558100       1.189300     -0.9745000    
 H    3.565500      -1.920500      0.8224000    
 H    1.874800      -2.115600       1.082500    
 H   7.4800000E-02  -1.601500      0.3231000    
 H    1.903700       2.260900     -0.5091000    
 H    3.364600       1.770000       1.531000    
 H    4.298300      0.3137000       1.893500    
 H    5.040200       1.633800      0.9746000    
 H    1.621300      -2.522700      -1.453300    
 H    3.367600      -2.303600      -1.615100    
 H    2.730200      -3.660700     -0.6719000    
 H  -0.2988000       3.239600     -0.6881000    
 H   -2.290400       1.925400     -0.3678000    
 H   -2.200800      -1.713800      0.4118000    
 H   -4.523400      -2.244400     -0.3552000    
 H   -5.687600      -1.118300      0.3837000    
 H   -4.451200      -1.900500       1.396500    


%chk=000080778-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080778

0 1
O -4.221713 0.776702 -0.069568
N 2.459454 -0.333026 0.037189
N -2.410925 -0.708731 0.156318
C 1.199973 0.284378 -0.041328
C 3.702616 0.414607 -0.229447
C 2.605463 -1.754881 0.395075
C -0.004281 -0.471205 0.085723
C 1.071940 1.695744 -0.252541
C -1.277473 0.149561 0.013579
C 4.279947 1.130692 1.015341
C 2.505971 -2.718241 -0.813541
C -0.201572 2.288825 -0.332036
C -1.394697 1.546124 -0.200611
C -3.770121 -0.391816 0.110846
C -4.685343 -1.606487 0.297703
H 4.451297 -0.301687 -0.619502
H 3.527163 1.143990 -1.041869
H 3.590767 -1.883552 0.882934
H 1.851819 -2.022652 1.160207
H 0.039525 -1.557806 0.222834
H 1.957801 2.330762 -0.336063
H 3.559301 1.861682 1.421191
H 4.508976 0.402828 1.815025
H 5.214053 1.665826 0.760368
H 1.534241 -2.612638 -1.326737
H 3.299573 -2.502302 -1.551739
H 2.617971 -3.769500 -0.487169
H -0.269092 3.371308 -0.492135
H -2.378126 2.011930 -0.258780
H -2.190240 -1.695422 0.312494
H -4.554175 -2.337066 -0.522515
H -5.728537 -1.259566 0.295552
H -4.484557 -2.123580 1.254699


