%chk=000056551.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056551

0 1
 O   0.6714000     -0.8442000      1.9300001E-02
 O   -1.284600     -0.6033000       1.822800    
 O  -0.9287000      -2.174400     -0.9600000    
 N    5.186100      -1.006200      0.6171000    
 C    3.435700      0.3523000     -0.5658000    
 C    4.733000      0.2709000      -1.423400    
 C    3.831200       1.028100      0.7803000    
 C    5.812300     -0.5464000     -0.6572000    
 C    4.937900      0.1871000       1.478500    
 C    3.029600      -1.087300     -0.2371000    
 C    4.016600      -1.750000      0.3939000    
 C    1.690600      -1.613200     -0.6037000    
 C   -1.618500     -0.2989000      0.4532000    
 C  -0.6219000      -1.230800     -0.2410000    
 C   -3.085000     -0.6396000      0.1776000    
 C   -1.339500       1.179200      0.1720000    
 C   -3.578400     -0.4469000      -1.092200    
 C   -1.497200       2.085600       1.195100    
 C   -3.853700      -1.125100       1.210300    
 C  -0.9419000       1.545400      -1.093400    
 C   -4.915000     -0.7572000      -1.343200    
 C   -1.243000       3.432900      0.9386000    
 C   -5.190200      -1.435600      0.9592000    
 C  -0.6875000       2.892700      -1.349800    
 C   -5.720900      -1.251600     -0.3176000    
 C  -0.8381000       3.836500     -0.3337000    
 H    2.646300      0.9073000      -1.080800    
 H    5.114100       1.275500      -1.641600    
 H    4.524700     -0.2077000      -2.388300    
 H    2.957700       1.108100       1.439300    
 H    4.193900       2.048100      0.6070000    
 H    6.135900      -1.409700      -1.251100    
 H    6.700400      6.3900001E-02 -0.4571000    
 H    5.855500      0.7726000       1.607200    
 H    4.609800     -0.1297000       2.475800    
 H    4.014300      -2.770800      0.7441000    
 H    1.593900      -2.660300     -0.2921000    
 H    1.571800      -1.563600      -1.692600    
 H   -1.385700      -1.560100       1.968900    
 H   -2.971200     -8.7800004E-02  -1.914300    
 H   -1.823100       1.793800       2.188200    
 H   -3.488000      -1.272400       2.220100    
 H  -0.8134000      0.8309000      -1.899800    
 H   -5.327100     -0.6192000      -2.338500    
 H   -1.362900       4.168400       1.728800    
 H   -5.818900      -1.818000       1.758000    
 H  -0.3711000       3.207000      -2.340100    
 H   -6.761300      -1.493800     -0.5133000    
 H  -0.6404000       4.885500     -0.5334000    


%chk=000056551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056551

0 1
O 0.466832 -0.958195 0.567169
O -2.684274 -0.948934 2.383182
O -0.668259 -2.593496 1.769188
N 4.949188 -0.053147 -0.249104
C 2.678842 -0.363472 -1.463254
C 3.833843 -0.888988 -2.379480
C 2.930219 1.161610 -1.218815
C 5.184147 -0.688615 -1.602555
C 4.308545 1.301525 -0.478718
C 2.783280 -1.068516 -0.114654
C 3.991163 -0.879150 0.487528
C 1.668286 -1.881027 0.458486
C -1.831618 -0.467288 1.291272
C -0.622487 -1.454180 1.239904
C -2.610944 -0.526806 -0.047838
C -1.371380 0.957775 1.665363
C -1.977898 -0.658850 -1.309144
C -1.217419 1.289910 3.033980
C -4.022499 -0.411775 0.005947
C -1.069722 1.927790 0.680086
C -2.746459 -0.683577 -2.495678
C -0.760812 2.572043 3.410362
C -4.787391 -0.429896 -1.180204
C -0.612250 3.209976 1.057858
C -4.153161 -0.567563 -2.436943
C -0.452750 3.537048 2.423864
H 1.695532 -0.521813 -1.938457
H 3.829910 -0.319750 -3.328567
H 3.672526 -1.953847 -2.627644
H 2.108432 1.583049 -0.613392
H 2.943135 1.688297 -2.192085
H 5.696646 -1.650602 -1.434362
H 5.877092 -0.030532 -2.156847
H 5.025918 1.906227 -1.062247
H 4.184678 1.781341 0.506029
H 4.290740 -1.282828 1.461963
H 1.893840 -2.275359 1.464458
H 1.357302 -2.720694 -0.192082
H -2.536810 -1.933368 2.455527
H -0.887531 -0.741697 -1.369167
H -1.484174 0.545812 3.789778
H -4.502432 -0.320176 0.984541
H -1.201782 1.692129 -0.380314
H -2.244904 -0.793656 -3.464018
H -0.651395 2.819175 4.472458
H -5.878060 -0.339434 -1.123443
H -0.388945 3.955179 0.285736
H -4.747808 -0.586963 -3.357162
H -0.101431 4.533307 2.715694


