%chk=000040271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040271

1 1
 O    1.043000     -0.9144000      0.7008000    
 N   -2.470800      4.5899998E-02 -0.1097000    
 C   -1.294600     -0.8824000      0.1567000    
 C   -3.697100     -0.7797000     -0.4715000    
 C   -2.761900      0.8666000       1.138400    
 C   -2.129700      0.9793000      -1.262400    
 C  -6.8200000E-02 -5.4400001E-02  0.4862000    
 C   -4.031200      -1.705300      0.6778000    
 C   -3.931700       1.787300      0.8678000    
 C   -1.841400      0.1579000      -2.500000    
 C    2.279500     -0.4186000      0.3790000    
 C    2.520000      0.9471000      0.4770000    
 C    3.280100      -1.286500     -4.2599998E-02
 C    3.778200       1.451700      0.1487000    
 C    4.538300     -0.7818000     -0.3709000    
 C    4.787300      0.5873000     -0.2752000    
 H   -1.512000      -1.490200       1.040800    
 H   -1.145300      -1.576900     -0.6752000    
 H   -4.526700     -0.1332000     -0.7674000    
 H   -3.450500      -1.419200      -1.323800    
 H   -2.908100      0.2163000       2.004200    
 H   -1.902700       1.510800       1.344500    
 H   -3.015200       1.578000      -1.495600    
 H   -1.333300       1.675100     -0.9887000    
 H   0.1669000      0.6105000     -0.3461000    
 H  -0.1884000      0.5211000       1.406800    
 H   -4.917200      -2.286700      0.3905000    
 H   -3.264900      -2.453000      0.8929000    
 H   -4.316200      -1.193800       1.599200    
 H   -4.122100       2.361400       1.784100    
 H   -3.744200       2.541900      0.1009000    
 H   -4.871400       1.272700      0.6575000    
 H   -1.584600      0.8537000      -3.309500    
 H  -0.9776000     -0.5040000      -2.410700    
 H   -2.698600     -0.4038000      -2.877400    
 H    1.774300       1.651300      0.8329000    
 H    3.090100      -2.353300     -0.1188000    
 H    3.974900       2.516800      0.2301000    
 H    5.324300      -1.454900     -0.7006000    
 H    5.767600      0.9799000     -0.5292000    


%chk=000040271-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040271

1 1
O 1.068586 -0.814026 0.041974
N -2.573867 0.111568 -0.192917
C -1.245921 -0.659112 -0.084733
C -3.725016 -0.915061 -0.392703
C -2.783613 0.937504 1.108898
C -2.565091 1.083602 -1.408024
C 0.027583 0.202878 -0.014435
C -3.949535 -1.892474 0.766637
C -4.138130 1.643550 1.236655
C -2.201292 0.455102 -2.758806
C 2.421252 -0.366272 0.122928
C 2.798063 0.995106 0.144299
C 3.385150 -1.396927 0.178653
C 4.173930 1.319876 0.222344
C 4.750584 -1.054909 0.256161
C 5.151179 0.303479 0.278074
H -1.298832 -1.281488 0.822027
H -1.175297 -1.330098 -0.955544
H -4.631896 -0.318717 -0.585572
H -3.477202 -1.465977 -1.314392
H -2.627791 0.234549 1.943900
H -1.964787 1.675551 1.131408
H -3.575927 1.521108 -1.449463
H -1.858567 1.891086 -1.151200
H 0.157525 0.843422 -0.910732
H 0.058212 0.841610 0.891626
H -4.793999 -2.547347 0.487642
H -3.086341 -2.552059 0.952100
H -4.230196 -1.393836 1.709048
H -4.139408 2.185850 2.198832
H -4.314707 2.395457 0.449963
H -4.990479 0.944974 1.263693
H -2.230858 1.258742 -3.515922
H -1.183989 0.031000 -2.782654
H -2.917812 -0.315208 -3.088102
H 2.059751 1.802679 0.102266
H 3.057451 -2.440629 0.160533
H 4.475784 2.372432 0.239294
H 5.502036 -1.849902 0.299469
H 6.212366 0.563414 0.338272


