%chk=000057885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057885

0 1
 O   -2.345200      -1.885200      -2.319700    
 O  -0.7773000      -1.152200     -0.1436000    
 O  -4.0399998E-02  -2.020600       1.857000    
 N   -3.760700      0.7262000     -0.1109000    
 N    5.051900       1.125800     -0.4269000    
 C   -3.922400       2.173700     -0.2446000    
 C   -5.103300      0.2188000      0.1706000    
 C   -4.874400       2.517300      0.8916000    
 C   -5.647900       1.231600       1.166800    
 C   -3.175300      0.1205000      -1.297700    
 C   -2.955600      -1.384500      -1.126800    
 C   -2.061200      -1.734000      6.0600001E-02
 C   0.1402000      -1.375400      0.8359000    
 C    1.429800     -0.7180000      0.5055000    
 C    2.602600      -1.280600      0.9662000    
 C    1.416000      0.4348000     -0.2530000    
 C    3.826700      0.5025000     -0.1106000    
 C    3.814300     -0.6635000      0.6547000    
 C    2.627600       1.051700     -0.5645000    
 C    6.316600      0.6160000      4.1999999E-03
 C    7.438300       1.495000     -0.5149000    
 H   -4.379200       2.445000      -1.205100    
 H   -2.970900       2.706000     -0.1480000    
 H   -5.098100     -0.7843000      0.6080000    
 H   -5.733200      0.2081000     -0.7282000    
 H   -4.319000       2.815000       1.788700    
 H   -5.541600       3.341900      0.6206000    
 H   -6.726700       1.373700       1.046100    
 H   -5.465100      0.9027000       2.196600    
 H   -3.795200      0.2941000      -2.188300    
 H   -2.212900      0.6008000      -1.519400    
 H   -3.912500      -1.907200      -1.027300    
 H   -1.938800      -2.823000      0.1072000    
 H   -2.490800      -1.383900       1.005500    
 H   -1.468500      -1.471700      -2.399900    
 H    2.605300      -2.190100       1.559700    
 H   0.4957000      0.8897000     -0.6071000    
 H    4.723800      -1.124500       1.027900    
 H    2.623700       1.961400      -1.159400    
 H    5.012100       1.973800     -0.9819000    
 H    6.371800      0.5921000       1.098800    
 H    6.474100     -0.4012000     -0.3728000    
 H    7.435800       1.531500      -1.609600    
 H    7.337400       2.521400     -0.1460000    
 H    8.409100       1.109000     -0.1884000    


%chk=000057885-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057885

0 1
O -2.383312 -1.750218 -2.357916
O -0.757309 -1.091529 -0.208255
O 0.058893 -2.072907 1.744339
N -4.091719 0.670002 -0.003866
N 5.316833 0.950391 -0.652085
C -4.039586 2.126574 0.285069
C -5.539258 0.327969 -0.084299
C -5.131570 2.298542 1.362387
C -6.230895 1.263765 0.953493
C -3.274796 0.224429 -1.147553
C -2.982745 -1.295714 -1.092600
C -2.096489 -1.675233 0.097693
C 0.267183 -1.370060 0.722283
C 1.552851 -0.750690 0.339995
C 2.690086 -0.989239 1.157818
C 1.703728 0.073821 -0.811311
C 4.094261 0.389530 -0.312620
C 3.940655 -0.435677 0.846370
C 2.945608 0.633897 -1.132787
C 6.558445 0.765626 0.110108
C 7.719287 1.521546 -0.557394
H -4.284138 2.743708 -0.618099
H -3.032119 2.416129 0.633387
H -5.704810 -0.741953 0.135834
H -5.938660 0.524528 -1.111597
H -4.716725 2.042398 2.352457
H -5.515372 3.332658 1.406637
H -7.105781 1.761886 0.499921
H -6.589466 0.702224 1.832663
H -3.761707 0.440233 -2.130528
H -2.310191 0.766211 -1.124047
H -3.932213 -1.855130 -1.015340
H -1.987945 -2.768300 0.202890
H -2.484825 -1.237878 1.033432
H -1.417157 -1.523889 -2.314891
H 2.567002 -1.621850 2.043617
H 0.834194 0.271431 -1.444561
H 4.797765 -0.639171 1.494710
H 3.046204 1.268056 -2.022741
H 5.362714 1.529785 -1.490525
H 6.423563 1.130283 1.150224
H 6.805316 -0.314927 0.176433
H 7.898928 1.150956 -1.583498
H 7.512657 2.606655 -0.607101
H 8.649216 1.381332 0.019455


