%chk=000027277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027277

0 1
 O    3.710700     -0.4729000      0.5471000    
 O   0.2392000      -1.364100      0.5213000    
 O    1.994400      -1.973500       1.882000    
 N   -3.909800     -0.5401000      0.2157000    
 C    2.391600     -0.4847000     -1.4900000E-02
 C    2.493500      -1.108200      -1.448300    
 C    1.840000      0.9462000      4.1800000E-02
 C    1.546300      -1.361300      0.9197000    
 C    3.373000     -0.2832000      -2.405400    
 C    3.048100      -2.542100      -1.418100    
 C   -2.556500     -0.6094000      0.7534000    
 C   -2.053900      -2.049400      0.7385000    
 C  -0.6488000      -2.156700       1.315400    
 C   -4.593500      0.6634000      0.6927000    
 C   -3.884900     -0.5631000      -1.248000    
 C    2.337900       1.848900      0.9815000    
 C   0.8410000       1.344400     -0.8466000    
 C   -3.891100       1.921300      0.2107000    
 C   -5.291900     -0.5583000      -1.821100    
 C    1.836800       3.149600       1.033000    
 C   0.3400000       2.645300     -0.7951000    
 C   0.8380000       3.547700      0.1448000    
 H    1.491800      -1.180200      -1.889500    
 H    4.400100     -0.2030000      -2.033800    
 H    3.411900     -0.7545000      -3.393700    
 H    2.985300      0.7291000      -2.547000    
 H    4.088500      -2.575500      -1.080100    
 H    3.020300      -2.979400      -2.422900    
 H    2.452600      -3.193000     -0.7709000    
 H   -1.863900      3.9999999E-02  0.2052000    
 H   -2.543400     -0.2768000       1.800100    
 H   -2.729300      -2.692700       1.315100    
 H   -2.024800      -2.435500     -0.2862000    
 H  -0.6337000      -1.799400       2.351600    
 H  -0.3213000      -3.202400       1.290700    
 H   -4.609800      0.6597000       1.790500    
 H   -5.650700      0.6770000      0.4075000    
 H   -3.282400      0.2338000      -1.698500    
 H   -3.429200      -1.500600      -1.586200    
 H    4.003900      -1.389600      0.6784000    
 H    3.105300       1.566100       1.696200    
 H   0.4169000      0.6653000      -1.578700    
 H   -4.387100       2.790100      0.6607000    
 H   -3.956700       2.068400     -0.8708000    
 H   -2.842800       1.982900      0.5163000    
 H   -5.254200     -0.8126000      -2.886400    
 H   -5.772000      0.4224000      -1.750500    
 H   -5.931100      -1.302100      -1.332800    
 H    2.221500       3.851600       1.767100    
 H  -0.4422000       2.953800      -1.482700    
 H   0.4459000       4.559700      0.1864000    


%chk=000027277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027277

0 1
O 3.791091 -0.534038 0.639516
O 0.289769 -1.560992 0.352692
O 1.892460 -1.784832 2.021780
N -3.955315 -0.519943 0.138930
C 2.475535 -0.500809 -0.000037
C 2.609377 -1.136853 -1.430080
C 1.947647 0.954324 -0.054127
C 1.533433 -1.346601 0.897386
C 3.615017 -0.328262 -2.279853
C 3.032073 -2.620341 -1.342262
C -2.607257 -0.696518 0.734948
C -2.074265 -2.138586 0.570339
C -0.692776 -2.336075 1.190309
C -4.772095 0.513030 0.830508
C -3.911426 -0.389160 -1.340733
C 2.713829 1.997729 0.517405
C 0.716464 1.269608 -0.685369
C -4.291414 1.984973 0.693253
C -5.298055 -0.474975 -2.005326
C 2.255554 3.334027 0.467420
C 0.260275 2.605037 -0.736071
C 1.026773 3.644155 -0.158190
H 1.608287 -1.077716 -1.900010
H 4.606235 -0.325917 -1.793961
H 3.716709 -0.784977 -3.281415
H 3.292364 0.719603 -2.410551
H 4.004824 -2.708720 -0.827584
H 3.136743 -3.045675 -2.356641
H 2.291041 -3.234810 -0.796902
H -1.859711 0.020220 0.317578
H -2.683603 -0.477181 1.818130
H -2.781535 -2.834379 1.061192
H -2.033220 -2.425844 -0.496716
H -0.628497 -1.960443 2.227687
H -0.372357 -3.393212 1.176732
H -4.802429 0.239740 1.902905
H -5.811815 0.433314 0.463648
H -3.402329 0.556615 -1.661361
H -3.289569 -1.217884 -1.727303
H 3.673514 -0.969366 1.530758
H 3.671046 1.744649 0.981406
H 0.108904 0.474741 -1.130333
H -4.946175 2.653172 1.283063
H -4.321975 2.328562 -0.357097
H -3.257677 2.110074 1.064711
H -5.189263 -0.512620 -3.104736
H -5.932396 0.397145 -1.765516
H -5.824175 -1.387620 -1.673494
H 2.861093 4.131585 0.912985
H -0.692890 2.834230 -1.226924
H 0.671664 4.680212 -0.197488


