%chk=000028612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028612

1 1
 O    2.708700      0.1262000      0.8463000    
 O    3.118200      -1.061300      -1.129000    
 N   -2.048800     -0.4474000      0.1129000    
 C   -2.198200      -1.429500      -1.045700    
 C   -3.284000      0.4505000      0.1368000    
 C  -0.7571000      0.3506000     -8.1400000E-02
 C   -1.972800      -1.187100       1.445400    
 C   -3.458200      -2.243800     -0.8493000    
 C   -3.174300       1.418100       1.294800    
 C   0.3662000     -0.1531000      0.4836000    
 C  -0.8466000       1.494500     -0.8016000    
 C    1.542700      0.5752000      0.3069000    
 C   0.3298000       2.222800     -0.9782000    
 C    1.524400       1.763000     -0.4240000    
 C    3.444300     -0.7200000      1.9999999E-04
 C    4.705800      -1.158800      0.6826000    
 H   -2.236500     -0.8607000      -1.982300    
 H   -1.314500      -2.078300      -1.054500    
 H   -3.432400      0.9303000     -0.8349000    
 H   -4.168000     -0.1651000      0.3303000    
 H   -1.548400     -0.5401000       2.221400    
 H   -2.982700      -1.473100       1.758600    
 H   -1.382000      -2.101900       1.327100    
 H   -3.470700      -3.038700      -1.605600    
 H   -3.523700      -2.751200      0.1155000    
 H   -4.373300      -1.671800      -1.024600    
 H   -4.012000       2.123800       1.239200    
 H   -3.271900      0.9212000       2.265300    
 H   -2.265800       2.023100       1.314300    
 H   0.4327000      -1.086100       1.027800    
 H   -1.736000       1.876900      -1.281700    
 H   0.3181000       3.143800      -1.554000    
 H    2.437600       2.334500     -0.5669000    
 H    5.319000     -0.2863000      0.9208000    
 H    5.272500      -1.811800      1.2800000E-02
 H    4.459800      -1.716500       1.589400    


%chk=000028612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028612

1 1
O 2.919904 0.273317 0.196063
O 2.448315 -1.638192 1.496188
N -2.070184 -0.493465 0.017937
C -2.575148 -1.135563 -1.322292
C -3.163698 0.454552 0.598843
C -0.803459 0.296876 -0.322156
C -1.806319 -1.605272 1.029443
C -3.808571 -2.036930 -1.207567
C -2.737158 1.191539 1.871434
C 0.444798 -0.147031 0.155222
C -0.920738 1.434632 -1.149945
C 1.602381 0.589441 -0.206028
C 0.249356 2.149150 -1.492666
C 1.511497 1.735488 -1.026742
C 3.279940 -0.833976 1.036304
C 4.769394 -0.829393 1.237785
H -2.767563 -0.289876 -2.002032
H -1.706527 -1.692611 -1.713273
H -3.415852 1.165579 -0.203603
H -4.045437 -0.180046 0.783693
H -1.310458 -1.190148 1.916472
H -2.770174 -2.043875 1.321947
H -1.171859 -2.378678 0.572738
H -4.041977 -2.399610 -2.224667
H -3.638631 -2.929722 -0.584379
H -4.705934 -1.507246 -0.847085
H -3.546019 1.891300 2.145718
H -2.592066 0.515527 2.730070
H -1.821466 1.786739 1.721731
H 0.570431 -1.024182 0.786665
H -1.884269 1.787009 -1.529588
H 0.170637 3.034887 -2.129409
H 2.424166 2.279087 -1.284751
H 5.286597 -0.904960 0.265508
H 5.058624 -1.672734 1.880023
H 5.089367 0.120287 1.700699


