%chk=000044979.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044979

0 1
 O    3.246400     -0.6994000       1.432800    
 O    4.988900      -1.829300     -0.2969000    
 N    4.310300     -0.6457000     -0.6164000    
 C   -3.620000     -0.6425000      9.1799997E-02
 C   -2.994500      0.7269000     -0.2976000    
 C   -3.130200      -1.692000     -0.9274000    
 C   -3.176100      -1.091100       1.494800    
 C   -5.156700     -0.6006000      3.7799999E-02
 C   -1.488000      0.8281000     -0.2438000    
 C  -0.7471000      0.5165000      -1.371900    
 C  -0.8772000       1.230900      0.9324000    
 C    1.274500       1.015000     -0.1458000    
 C   0.6439000      0.6105000      -1.322600    
 C   0.5139000       1.324800      0.9817000    
 C    2.761500       1.116100     -9.3000002E-02
 C    3.450400     -0.1682000      0.3441000    
 H   -3.330400       1.009500      -1.305600    
 H   -3.414400       1.504600      0.3565000    
 H   -3.347400      -1.382800      -1.956000    
 H   -2.056300      -1.886300     -0.8439000    
 H   -3.633100      -2.653000     -0.7645000    
 H   -2.099200      -1.280000       1.549800    
 H   -3.430400     -0.3355000       2.246200    
 H   -3.675900      -2.023200       1.783400    
 H   -5.594800      -1.575100      0.2808000    
 H   -5.551200      0.1312000      0.7514000    
 H   -5.507400     -0.3151000     -0.9602000    
 H   -1.226500      0.2066000      -2.295800    
 H   -1.459300       1.477200       1.815600    
 H    1.225500      0.3657000      -2.207500    
 H   0.9927000       1.639700       1.905100    
 H    3.064200       1.900800      0.6128000    
 H    3.142800       1.448000      -1.067100    
 H    4.402800     -0.3066000      -1.567000    
 H    5.823800      -1.463000      4.0700000E-02


%chk=000044979-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044979

0 1
O 3.698627 0.228638 1.634238
O 4.939822 -1.809940 0.480324
N 4.266855 -0.812571 -0.309248
C -3.599785 -0.726122 0.064831
C -3.017583 0.727866 -0.097671
C -3.217745 -1.609186 -1.150672
C -3.076329 -1.384192 1.367354
C -5.145720 -0.601052 0.140045
C -1.504449 0.842538 -0.200145
C -0.848951 0.810124 -1.457990
C -0.696624 0.998155 0.958470
C 1.351726 1.066865 -0.392026
C 0.556515 0.917022 -1.553938
C 0.706774 1.107918 0.870563
C 2.870799 1.210301 -0.503674
C 3.623701 0.199784 0.354122
H -3.481100 1.168712 -1.003111
H -3.373974 1.322779 0.767008
H -3.587495 -1.168199 -2.096661
H -2.122622 -1.728643 -1.232882
H -3.664175 -2.616449 -1.049944
H -1.977513 -1.495429 1.349314
H -3.345116 -0.780437 2.255632
H -3.519042 -2.389982 1.495935
H -5.614548 -1.596279 0.256257
H -5.454415 0.021753 1.001324
H -5.553998 -0.138322 -0.778877
H -1.446417 0.707576 -2.372126
H -1.177565 1.042287 1.943248
H 1.034004 0.895670 -2.541977
H 1.311887 1.216777 1.777505
H 3.186514 2.210715 -0.151560
H 3.180732 1.124782 -1.561934
H 4.259640 -1.046747 -1.299902
H 4.763069 -1.454010 1.412866


