%chk=000048979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048979

0 1
 O    1.515900       1.738400     -0.2044000    
 O    2.313900      0.8270000      -2.151700    
 O    3.233900      -1.708100      -1.607100    
 N   -2.575100      0.7155000     -1.0700000E-02
 C   -4.541000      -1.462500      0.1315000    
 C   -2.349800     -0.5292000     -0.7778000    
 C   -3.348200      0.5069000       1.232000    
 C   -3.693500      -1.199500      -1.115000    
 C   -4.702900     -0.1596000      0.9177000    
 C   -1.329000       1.453100      0.1996000    
 C   -5.901500      -2.044500     -0.2473000    
 C   -1.379900      -1.529300     -0.1278000    
 C   -3.629700       1.816800       1.985300    
 C  -0.6881000       1.802500      -1.139800    
 C   0.6237000       2.552700     -0.9528000    
 C    2.327500      0.8995000     -0.9273000    
 C    3.196900      0.1152000     -4.8900001E-02
 C    3.617400      -1.157700     -0.4208000    
 C    3.595000      0.6641000       1.166000    
 C    4.445000      -1.889400      0.4311000    
 C    4.422400     -6.7800000E-02   2.017800    
 C    4.847300      -1.344400       1.650500    
 H   -4.029800      -2.196300      0.7670000    
 H   -1.951600     -0.2925000      -1.769000    
 H   -2.790000     -0.1460000       1.915000    
 H   -3.521000      -2.139600      -1.654100    
 H   -4.251200     -0.5489000      -1.803300    
 H   -5.332400      0.5384000      0.3482000    
 H   -5.236200     -0.3685000       1.854100    
 H   -1.527700       2.409900      0.6937000    
 H  -0.6426000      0.9019000      0.8519000    
 H   -5.781700      -2.987300     -0.7913000    
 H   -6.499100      -2.247000      0.6477000    
 H   -6.468000      -1.356200     -0.8837000    
 H   -1.689500      -1.823400      0.8791000    
 H  -0.3647000      -1.125400     -6.5600000E-02
 H   -1.317500      -2.443300     -0.7292000    
 H   -4.057900       2.576600       1.322100    
 H   -2.724400       2.224600       2.445700    
 H   -4.342500       1.648700       2.800700    
 H  -0.4370000      0.9114000      -1.719600    
 H   -1.372000       2.412800      -1.741700    
 H   0.4582000       3.472800     -0.3819000    
 H    1.051800       2.852600      -1.916400    
 H    3.292600       1.661100       1.474700    
 H    4.783700      -2.885200      0.1580000    
 H    4.738500      0.3574000       2.965900    
 H    5.492000      -1.913800       2.313600    
 H    3.624500      -2.595200      -1.686800    


%chk=000048979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048979

0 1
O 1.671793 1.626446 -0.252566
O 2.457162 0.574813 -2.181212
O 4.505569 -1.218092 -1.776683
N -2.675669 0.600705 -0.053014
C -4.959297 -1.290420 0.150002
C -2.698131 -0.644130 -0.893846
C -3.397946 0.449204 1.252890
C -4.162016 -1.072946 -1.154262
C -4.857129 -0.003549 0.996588
C -1.315234 1.187233 0.096554
C -6.426843 -1.672490 -0.135576
C -1.833671 -1.819015 -0.344753
C -3.414228 1.767730 2.058615
C -0.616716 1.469296 -1.249913
C 0.649779 2.321635 -1.089461
C 2.531871 0.740836 -0.941782
C 3.484989 0.094257 0.006690
C 4.451069 -0.865294 -0.427530
C 3.450275 0.428482 1.390215
C 5.342408 -1.452654 0.508353
C 4.333954 -0.153790 2.317411
C 5.286142 -1.100628 1.869940
H -4.491136 -2.121447 0.719501
H -2.275535 -0.361074 -1.876239
H -2.901922 -0.330660 1.889781
H -4.166863 -1.994045 -1.770389
H -4.660822 -0.276112 -1.742078
H -5.387440 0.817420 0.470492
H -5.358794 -0.150342 1.974049
H -1.423569 2.156028 0.616956
H -0.644068 0.558870 0.733922
H -6.491131 -2.603654 -0.729987
H -6.993099 -1.828494 0.802224
H -6.934967 -0.871727 -0.707279
H -2.180094 -2.172020 0.642807
H -0.772408 -1.526075 -0.245177
H -1.877451 -2.674930 -1.043502
H -3.749033 2.602357 1.414809
H -2.431256 2.024486 2.489829
H -4.126301 1.673291 2.898759
H -0.341903 0.539556 -1.779407
H -1.319673 2.023421 -1.904478
H 0.451568 3.254784 -0.534417
H 1.096597 2.546663 -2.073932
H 2.708735 1.162332 1.714253
H 6.080632 -2.188082 0.161461
H 4.284242 0.124192 3.374665
H 5.982594 -1.563490 2.577590
H 5.219667 -1.889579 -1.925972


