%chk=000094795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094795

0 1
 O    5.149700      0.8880000     -0.2165000    
 O    1.111900      -1.962000     -3.2699998E-02
 N    2.600600     -0.2072000      0.2761000    
 C   -1.161800     -0.5349000      6.1200000E-02
 C   -2.403900      0.3644000      6.5600000E-02
 C   0.1672000      0.1976000      0.2205000    
 C   -3.717400     -0.4081000     -7.5000003E-02
 C    3.783200      -1.065600      0.2087000    
 C    2.889600       1.190900      0.6121000    
 C    1.328900     -0.7605000      0.1436000    
 C   -4.921800      0.5354000     -3.2600001E-02
 C    4.848500     -0.4326000     -0.6751000    
 C    3.996400       1.730800     -0.2849000    
 C   -6.236800     -0.2363000     -0.1398000    
 C   -7.434400      0.7002000     -0.1313000    
 H   -1.263500      -1.275600      0.8653000    
 H   -1.154100      -1.102500     -0.8789000    
 H   -2.320700       1.091200     -0.7519000    
 H   -2.420000      0.9393000      0.9998000    
 H   0.1835000      0.7061000       1.190600    
 H   0.2692000      0.9421000     -0.5767000    
 H   -3.716200     -0.9656000      -1.019300    
 H   -3.796900      -1.143000      0.7351000    
 H    3.526200      -2.063700     -0.1582000    
 H    4.153700      -1.165400       1.235800    
 H    2.007500       1.828200      0.5366000    
 H    3.218400       1.193100       1.658100    
 H   -4.909100       1.108200      0.9027000    
 H   -4.849800       1.257700     -0.8548000    
 H    5.770000      -1.021500     -0.6344000    
 H    4.524900     -0.3867000      -1.721700    
 H    3.664600       1.804600      -1.327400    
 H    4.291900       2.731800      4.4399999E-02
 H   -6.248800     -0.8251000      -1.064500    
 H   -6.324100     -0.9413000      0.6949000    
 H   -7.469800       1.283300      0.7946000    
 H   -8.364000      0.1276000     -0.2079000    
 H   -7.394000       1.396600     -0.9750000    


%chk=000094795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094795

0 1
O 5.204533 0.943083 -0.309992
O 1.268973 -2.016478 -0.149674
N 2.644466 -0.209611 0.331558
C -1.164418 -0.604792 0.041725
C -2.384764 0.340287 0.095869
C 0.167183 0.152343 0.214437
C -3.730488 -0.403165 -0.061205
C 3.856450 -1.059188 0.285931
C 2.921926 1.206371 0.645692
C 1.387353 -0.778486 0.116995
C -4.956770 0.536338 -0.021515
C 4.885982 -0.451138 -0.682278
C 3.983652 1.761075 -0.330899
C -6.303108 -0.208106 -0.172959
C -7.522728 0.738288 -0.138999
H -1.248196 -1.378847 0.827814
H -1.148798 -1.152974 -0.918570
H -2.297096 1.106539 -0.703793
H -2.386428 0.894836 1.058542
H 0.173711 0.676051 1.192579
H 0.245293 0.943885 -0.560096
H -3.728700 -0.963928 -1.019120
H -3.824210 -1.163546 0.742011
H 3.545404 -2.068377 -0.032495
H 4.297225 -1.122307 1.301505
H 2.002450 1.807915 0.576027
H 3.310971 1.284519 1.682231
H -4.957613 1.100777 0.934844
H -4.865990 1.293845 -0.828430
H 5.845434 -0.991256 -0.634971
H 4.492775 -0.479318 -1.721257
H 3.564764 1.789487 -1.361031
H 4.301841 2.774122 -0.033415
H -6.299637 -0.775387 -1.126161
H -6.395051 -0.961829 0.635669
H -7.565645 1.295247 0.816242
H -8.471870 0.181873 -0.248468
H -7.470075 1.481352 -0.957242


