%chk=000125652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125652

0 1
 O    1.626900      0.1851000       1.028900    
 O    3.331700     -0.8190000     -0.2098000    
 O   -1.638300      0.8097000     -0.4734000    
 O    2.938400       2.690400      0.7608000    
 O    5.797000       2.450300      0.3911000    
 O    6.032700     -0.3140000      0.5702000    
 O   0.2036000      -2.376400       1.357100    
 O   -3.733700     -0.1828000     -0.1963000    
 O   -2.615300      -1.913200       1.777600    
 O    3.882500      -2.872200      -1.948000    
 O   -6.480600      -1.385900     -0.3496000    
 O   -7.389500      0.4697000      0.5958000    
 N   -6.422400       1.927800      -1.572700    
 C    2.658700      0.4082000      6.8400003E-02
 C   0.4013000     -0.1689000      0.3981000    
 C    3.624700       1.443600      0.6489000    
 C    4.840700       1.618700     -0.2603000    
 C    5.467000      0.2674000     -0.6062000    
 C  -0.4137000      -1.089600       1.305500    
 C    4.393100     -0.6746000      -1.161700    
 C   -1.835400      -1.265600      0.7725000    
 C  -0.3700000       1.108900      9.9100001E-02
 C   -2.474400      7.9000004E-02  0.4218000    
 C    4.937700      -2.068400      -1.451100    
 C   -4.393100       1.021700     -0.5536000    
 C   -5.737300      0.6923000      -1.196500    
 C   -6.632300     -4.2100001E-02 -0.2167000    
 H    2.232000      0.8048000     -0.8631000    
 H   0.5951000     -0.7203000     -0.5334000    
 H    3.939600       1.165800       1.662000    
 H    4.545100       2.134200      -1.182600    
 H    6.286800      0.4020000      -1.319700    
 H  -0.4213000     -0.7062000       2.333300    
 H    3.962800     -0.2661000      -2.085600    
 H   -1.828100      -1.928300     -0.1021000    
 H   0.1752000       1.735800     -0.6137000    
 H  -0.5017000       1.719800       1.001400    
 H   -2.654500      0.6649000       1.333500    
 H    5.734800      -2.035600      -2.199700    
 H    5.320800      -2.555500     -0.5487000    
 H    2.159400       2.544000       1.324400    
 H    5.354100       3.288100      0.6094000    
 H    5.306500     -0.5811000       1.158600    
 H  -0.3456000      -2.940100       1.928600    
 H   -3.521300      -1.995100       1.433700    
 H   -4.537300       1.631900      0.3476000    
 H   -3.783200       1.589300      -1.266600    
 H    3.179800      -2.883700      -1.275700    
 H   -5.608700      6.8000004E-02  -2.087900    
 H   -6.509100       2.538400     -0.7606000    
 H   -5.853100       2.440800      -2.245300    
 H   -7.047900      -1.881600      0.2788000    


%chk=000125652-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125652

0 1
O 1.628179 1.396347 0.172708
O 2.939632 -0.540048 0.439908
O -1.912589 2.048598 -0.705535
O 4.123355 2.896357 -0.475607
O 6.478272 1.663018 0.577488
O 5.244645 -0.554634 2.080589
O 0.631128 -1.321289 -1.153054
O -3.753173 0.616831 -1.071139
O -2.087760 -1.706166 -0.749955
O 2.710699 -3.203086 -0.314041
O -4.892418 -2.034311 -0.009261
O -5.927753 -1.074725 1.831333
N -7.340711 0.616559 0.110516
C 2.851257 0.763638 -0.229866
C 0.418387 1.103932 -0.626041
C 4.025655 1.629740 0.263007
C 5.368476 0.904441 0.021645
C 5.360221 -0.528462 0.622046
C -0.167111 -0.311713 -0.437062
C 4.165651 -1.271989 -0.018480
C -1.593740 -0.356430 -1.019060
C -0.579539 2.164969 -0.094342
C -2.494496 0.726794 -0.410148
C 3.900409 -2.722717 0.385513
C -4.931937 1.167152 -0.383257
C -6.063387 0.081968 -0.343065
C -5.656940 -1.036237 0.612752
H 2.881693 0.616460 -1.333860
H 0.634954 1.259911 -1.703076
H 3.887645 1.819019 1.347723
H 5.489671 0.803739 -1.083384
H 6.324122 -1.017592 0.400331
H -0.203092 -0.556980 0.644903
H 4.215600 -1.219879 -1.127751
H -1.554798 -0.160570 -2.111905
H -0.226660 3.176154 -0.344869
H -0.642564 2.067007 1.010428
H -2.598388 0.607220 0.696746
H 4.739580 -3.369426 0.074555
H 3.786607 -2.792612 1.486615
H 3.335640 3.451967 -0.249508
H 6.382993 2.596384 0.252048
H 4.291110 -0.371212 2.298139
H 0.020793 -2.093193 -1.311110
H -3.056957 -1.746674 -0.979764
H -4.679100 1.507301 0.641044
H -5.301153 2.029159 -0.967239
H 2.050065 -2.448743 -0.353267
H -6.148163 -0.338515 -1.360901
H -7.471114 0.688999 1.119939
H -7.785616 1.328291 -0.465337
H -4.637083 -2.720452 0.668408


