%chk=000044401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044401

0 1
 O   -1.056300      -1.321300     -6.9799997E-02
 O    4.071300      0.5136000      0.3685000    
 O    3.520700      -3.437600     -0.3196000    
 O    4.880800      -1.739300      2.2000000E-03
 N    1.136900       3.183100     -0.1998000    
 N    3.730000      -2.221200     -0.1073000    
 C    1.712500      0.8869000      0.3755000    
 C   0.4132000      0.3637000      0.2544000    
 C    1.956000       2.341100      0.6314000    
 C   0.2651000     -0.9990000      1.7200001E-02
 C    2.802800      1.4800000E-02  0.2522000    
 C  -0.9039000      0.8907000      0.3133000    
 C   -1.755500     -0.1706000      0.1107000    
 C    2.611800      -1.348600      1.3700000E-02
 C    1.328900      -1.890300     -0.1102000    
 C   -3.183800     -0.3044000      5.3100001E-02
 C    1.400900       2.944600      -1.626900    
 C    1.347800       4.605700      0.1080000    
 C   -4.004400      0.8147000      0.2249000    
 C   -3.764600      -1.555900     -0.1743000    
 C   -5.392200      0.6836000      0.1698000    
 C   -5.152200      -1.687000     -0.2295000    
 C   -5.965900     -0.5672000     -5.7300001E-02
 H    1.731700       2.519900       1.691400    
 H    3.004100       2.624300      0.4864000    
 H   -1.195000       1.916200      0.4917000    
 H    1.135300      -2.940900     -0.2949000    
 H    2.452700       3.118800      -1.883200    
 H   0.7902000       3.618800      -2.239100    
 H    1.129700       1.934400      -1.948200    
 H    1.118300       4.806700       1.160300    
 H   0.6718000       5.231000     -0.4858000    
 H    2.378200       4.922800     -8.9100003E-02
 H   -3.588700       1.803200      0.4035000    
 H   -3.165600      -2.452600     -0.3132000    
 H    4.097200       1.125100       1.123500    
 H   -6.026100       1.555300      0.3038000    
 H   -5.599600      -2.660800     -0.4063000    
 H   -7.046300     -0.6694000     -0.1003000    


%chk=000044401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044401

0 1
O -1.070478 -1.459401 -0.039380
O 4.149660 0.476866 0.369043
O 3.573449 -3.574797 0.084401
O 4.917524 -1.870907 -0.615656
N 1.210458 3.229914 -0.318664
N 3.792105 -2.320688 -0.179630
C 1.715578 0.874486 0.371449
C 0.424060 0.295087 0.248799
C 1.846892 2.355249 0.691425
C 0.291689 -1.108399 0.034632
C 2.841168 0.014029 0.235506
C -0.918115 0.824010 0.300814
C -1.796843 -0.242905 0.128936
C 2.657004 -1.394369 -0.002491
C 1.369647 -1.976357 -0.082468
C -3.252848 -0.345248 0.082427
C 1.791366 3.071833 -1.668596
C 1.183620 4.640453 0.121703
C -4.059803 0.817893 0.236383
C -3.885890 -1.604625 -0.116198
C -5.463892 0.721279 0.191780
C -5.291626 -1.694403 -0.159205
C -6.087342 -0.534677 -0.005860
H 1.355898 2.558103 1.663974
H 2.928121 2.647180 0.843021
H -1.178983 1.872949 0.410178
H 1.269581 -3.052839 -0.232125
H 2.869550 3.369991 -1.716297
H 1.230833 3.696597 -2.384951
H 1.709879 2.021042 -1.992429
H 0.672782 4.719665 1.098277
H 0.620204 5.244172 -0.610633
H 2.203352 5.090015 0.226287
H -3.587662 1.794471 0.389711
H -3.267774 -2.499348 -0.234579
H 4.146800 1.449538 0.572366
H -6.074355 1.622929 0.310874
H -5.768021 -2.668722 -0.312456
H -7.179785 -0.607165 -0.039667


