%chk=000044330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044330

0 1
 O   -2.983300       1.464400      6.3600004E-02
 N   -4.212300     -0.5160000     -7.4500002E-02
 C   -5.319000     -0.2800000      0.8050000    
 C   -5.428300     -1.4400000E-02 -0.6435000    
 C  -0.5543000      0.2353000     -3.2699998E-02
 C   -1.817900     -0.6176000     -9.0599999E-02
 C   0.7251000     -0.6087000     -3.9600000E-02
 C   -3.052100      0.2407000     -2.3300000E-02
 C    1.972000      0.2790000     -1.0400000E-02
 C    3.283900     -0.5111000     -2.8700000E-02
 C    4.530100      0.3768000     -2.5599999E-02
 C    5.807400     -0.4626000      2.9500000E-02
 C    7.048800      0.4142000      7.0799999E-02
 H   -5.745300      -1.187000       1.207400    
 H   -5.199500      0.5500000       1.486200    
 H   -5.393100       1.006000     -0.9967000    
 H   -5.932800     -0.7324000      -1.273100    
 H  -0.5673000      0.8559000      0.8726000    
 H  -0.5390000      0.9254000     -0.8860000    
 H   0.7446000      -1.238700     -0.9369000    
 H   0.7296000      -1.278800      0.8283000    
 H   -1.841900      -1.196700      -1.020800    
 H   -1.838000      -1.321600      0.7495000    
 H    1.952900      0.9563000     -0.8733000    
 H    1.946800      0.9093000      0.8871000    
 H    3.308700      -1.174800      0.8446000    
 H    3.303300      -1.155700     -0.9162000    
 H    4.495800       1.049800      0.8398000    
 H    4.536200       1.005200     -0.9242000    
 H    5.858400      -1.120100     -0.8461000    
 H    5.793800      -1.105100      0.9176000    
 H    7.949900     -0.2059000      0.1081000    
 H    7.110000       1.049300     -0.8188000    
 H    7.044000       1.060000      0.9546000    


%chk=000044330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044330

0 1
O -3.150870 1.213929 -1.542307
N -4.343029 -0.376490 -0.327690
C -4.832144 -0.630375 1.048334
C -5.574975 0.316228 0.084166
C -0.620081 0.271199 -0.392218
C -1.886392 -0.609273 -0.461625
C 0.670004 -0.560417 -0.223732
C -3.147744 0.188138 -0.802683
C 1.944109 0.310692 -0.148478
C 3.241081 -0.514146 0.011678
C 4.515786 0.356685 0.080768
C 5.813365 -0.467827 0.242561
C 7.081967 0.409934 0.308452
H -5.239350 -1.627478 1.247295
H -4.284432 -0.172704 1.882186
H -5.504119 1.396069 0.261341
H -6.502415 -0.020624 -0.389735
H -0.712582 0.988583 0.448223
H -0.565477 0.880934 -1.313287
H 0.762246 -1.268973 -1.073927
H 0.598453 -1.183204 0.693112
H -1.759170 -1.369929 -1.259911
H -2.037548 -1.173825 0.478642
H 2.015246 0.932187 -1.065241
H 1.854082 1.020448 0.700538
H 3.170962 -1.133963 0.930420
H 3.329686 -1.225535 -0.836274
H 4.428609 1.069856 0.927387
H 4.588316 0.974868 -0.838577
H 5.899052 -1.180889 -0.602966
H 5.740661 -1.084455 1.161919
H 7.994746 -0.203160 0.424732
H 7.194635 1.012751 -0.612527
H 7.034521 1.111168 1.163124


