%chk=000040377.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040377

0 1
 O   -1.101800      -1.082800       1.178400    
 O   -1.233000      -1.431200      -1.203200    
 O    5.118300       1.243300      0.4121000    
 N    2.649400      7.8699999E-02 -0.3941000    
 N   -4.466800       2.430300       1.047800    
 C  -0.6091000      -1.833500      4.1200001E-02
 C   0.8962000      -1.597900     -7.4900001E-02
 C    1.206900     -0.1183000     -0.2669000    
 C    3.345300     -0.3614000      0.8232000    
 C    2.961200       1.487700     -0.6709000    
 C  -0.9092000      -3.313800      0.2737000    
 C    4.846900     -0.1345000      0.6722000    
 C    4.471700       1.670200     -0.7875000    
 C   -2.004500     -0.2545000      0.5834000    
 C   -2.079300     -0.4534000     -0.7762000    
 C   -2.778900      0.6912000       1.222800    
 C   -2.932800      0.2825000      -1.571800    
 C   -3.651900       1.450300      0.4400000    
 C   -3.728500       1.247000     -0.9493000    
 H    1.302100      -2.170700     -0.9184000    
 H    1.340500      -1.980000      0.8489000    
 H   0.8159000      0.4792000      0.5657000    
 H   0.7259000      0.2386000      -1.185100    
 H    3.228600      -1.431500       1.010200    
 H    2.976500      0.1888000       1.698400    
 H    2.578100       2.127900      0.1346000    
 H    2.492200       1.804900      -1.609300    
 H  -0.5487000      -3.928200     -0.5579000    
 H  -0.4619000      -3.670100       1.207600    
 H   -1.990400      -3.477400      0.3510000    
 H    5.360500     -0.4040000       1.600700    
 H    5.271000     -0.7488000     -0.1316000    
 H    4.881600       1.116900      -1.641300    
 H    4.708900       2.728700     -0.9344000    
 H   -2.707800      0.8356000       2.295700    
 H   -2.988400      0.1225000      -2.642500    
 H   -4.410100       1.840800      -1.554100    
 H   -5.098600       2.983300      0.4841000    
 H   -4.414900       2.582800       2.046200    


%chk=000040377-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040377

0 1
O -1.135239 -0.964311 1.132020
O -1.142352 -1.094796 -1.272216
O 5.497536 1.198489 0.263061
N 2.885072 0.030954 -0.277026
N -4.988768 2.147013 1.237167
C -0.557340 -1.736276 -0.041128
C 0.962453 -1.561244 -0.048125
C 1.406952 -0.094136 -0.207194
C 3.547736 -0.132617 1.043186
C 3.305519 1.315453 -0.897129
C -1.048339 -3.180210 0.044982
C 5.075584 -0.070109 0.879991
C 4.834760 1.352698 -1.043169
C -2.184396 -0.180781 0.600621
C -2.197923 -0.260251 -0.807789
C -3.086763 0.603798 1.319204
C -3.131905 0.455339 -1.558437
C -4.055039 1.345739 0.567284
C -4.065964 1.262567 -0.855986
H 1.382628 -2.154965 -0.880553
H 1.345539 -1.994564 0.894694
H 0.975031 0.518460 0.620796
H 0.987208 0.289809 -1.154234
H 3.273582 -1.112180 1.476784
H 3.221221 0.663003 1.760828
H 2.976824 2.195912 -0.288396
H 2.838950 1.398647 -1.897015
H -0.688824 -3.754211 -0.826108
H -0.676250 -3.655714 0.968736
H -2.151108 -3.203778 0.053369
H 5.581693 -0.103550 1.859159
H 5.415834 -0.922431 0.252609
H 5.161490 0.538894 -1.726282
H 5.175481 2.325978 -1.433719
H -3.054315 0.647961 2.411928
H -3.143608 0.400528 -2.650438
H -4.811776 1.832197 -1.421965
H -5.684507 2.674302 0.719456
H -4.985579 2.217580 2.249532


