%chk=000131548.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131548

1 1
 O    2.052100      0.2548000       1.415100    
 O  -7.9700001E-02  -2.460400      0.8962000    
 O    2.761700      -2.706200      -1.506300    
 O    2.910400      -2.487400      0.7457000    
 N    3.723500       1.934300     -0.1308000    
 C    3.219500      0.6432000     -0.6678000    
 C    1.888200      0.2943000     -3.4000000E-03
 C    1.348600      -1.070100     -0.4798000    
 C    5.047000       2.322200     -0.8029000    
 C    2.710900       3.059000     -0.3823000    
 C    3.965000       1.836400       1.381000    
 C   3.9099999E-02  -1.433100      0.2267000    
 C   -1.130200     -0.4779000      6.4800002E-02
 C    2.412300      -2.146000     -0.3188000    
 C   -2.479400      -1.185400      0.1745000    
 C   -3.655600     -0.2508000      2.9999999E-02
 C   -4.185500      0.3548000       1.158700    
 C   -4.185600     -1.4500000E-02  -1.228700    
 C   -5.272800       1.218300       1.025400    
 C   -5.272900      0.8490000      -1.362200    
 C   -5.816500       1.465400     -0.2351000    
 H    3.995200     -0.1027000     -0.4616000    
 H    3.104000      0.7396000      -1.754000    
 H    1.126100       1.046400     -0.2228000    
 H    1.111600      -1.001400      -1.550200    
 H    5.780700       1.540800     -0.5843000    
 H    4.871800       2.395200      -1.880400    
 H    5.379000       3.285500     -0.4044000    
 H    3.193700       4.009700     -0.1336000    
 H    2.434400       3.044200      -1.440600    
 H    1.836200       2.933400      0.2599000    
 H    3.061600       2.086700       1.942500    
 H    4.402100      0.8632000       1.622600    
 H    4.698500       2.608100       1.643700    
 H   -1.036500      0.3028000      0.8279000    
 H   -1.053300      1.1000000E-03 -0.9184000    
 H    2.608000     -0.5107000       1.638700    
 H   -2.555100      -1.706900       1.138100    
 H   -2.546000      -1.978800     -0.5821000    
 H    3.447800      -3.398400      -1.395700    
 H   -3.767500      0.1703000       2.144200    
 H   -3.767800     -0.4883000      -2.112300    
 H   -5.695600       1.698800       1.902800    
 H   -5.695900       1.041900      -2.343700    
 H   -6.662900       2.138000     -0.3390000    


%chk=000131548-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131548

1 1
O 1.964253 0.211444 1.532522
O -0.052439 -2.684776 0.752402
O 2.471658 -3.263221 -1.024651
O 3.210510 -2.162980 0.881848
N 3.700652 2.068757 -0.057557
C 3.137695 0.730923 -0.613235
C 1.842592 0.229419 0.077038
C 1.427160 -1.164645 -0.482363
C 4.646546 2.647927 -1.111064
C 2.585003 3.074163 0.225739
C 4.493266 1.829781 1.235006
C 0.034779 -1.606947 0.126942
C -1.131051 -0.658527 -0.100181
C 2.463056 -2.224037 -0.132331
C -2.521558 -1.321975 0.092997
C -3.635390 -0.297981 -0.077078
C -4.062885 0.491073 1.022187
C -4.241122 -0.087130 -1.342227
C -5.070349 1.468765 0.861425
C -5.249728 0.889558 -1.507306
C -5.665067 1.672819 -0.405723
H 3.955412 -0.002703 -0.511169
H 2.937286 0.901629 -1.686538
H 1.023145 0.934942 -0.138875
H 1.294035 -1.117120 -1.579916
H 5.405794 1.892723 -1.365867
H 4.069981 2.919038 -2.008724
H 5.137595 3.542506 -0.698656
H 3.046848 4.036256 0.496219
H 1.969002 3.201312 -0.677981
H 1.977420 2.704891 1.064041
H 3.809846 1.393381 1.975178
H 5.323400 1.138830 1.021324
H 4.888693 2.796870 1.582945
H -1.031451 0.172943 0.630746
H -1.058137 -0.196012 -1.105245
H 2.435240 -0.640478 1.782234
H -2.553967 -1.781258 1.096633
H -2.630597 -2.144618 -0.636974
H 3.057426 -4.009416 -0.718072
H -3.622721 0.323121 2.013746
H -3.938729 -0.704681 -2.197828
H -5.401135 2.059601 1.722712
H -5.718701 1.030804 -2.487300
H -6.453070 2.423429 -0.529724


