%chk=000045231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045231

0 1
 O   -1.090800       1.655400     -0.5561000    
 O    4.886800     -4.4599999E-02  0.1080000    
 O  -0.6469000       2.903300       1.326700    
 N   -3.860600     -0.4485000     -0.4625000    
 C   -3.465000      -1.812400     -4.1499998E-02
 C   -4.216700      -2.215200       1.243300    
 C   -5.315400     -0.3598000     -0.6804000    
 C   -5.726800      -2.106400       1.076700    
 C   -6.100700     -0.7191000      0.5788000    
 C   -3.165300     -1.1500000E-02  -1.676700    
 C   -1.958400      -1.935000      0.2282000    
 C   -3.155300       1.511400      -1.761900    
 C   -2.429000       2.132600     -0.5765000    
 C  -0.3040000       2.122100      0.4529000    
 C    5.002500      -1.464700      0.1837000    
 C    1.063900       1.552000      0.3613000    
 C    6.212900      -1.913500     -0.6378000    
 C    3.633700      0.4800000      0.1903000    
 C    5.147100      -1.869300       1.644600    
 C    2.030600       1.904200       1.303100    
 C    1.382200      0.6638000     -0.6661000    
 C    3.315400       1.368200       1.217800    
 C    2.667100      0.1277000     -0.7517000    
 C    6.092800      -1.520500      -2.104200    
 H   -3.725400      -2.530100     -0.8319000    
 H   -3.963600      -3.246100       1.519400    
 H   -3.898500      -1.576200       2.077900    
 H   -5.611700      0.6568000     -0.9581000    
 H   -5.625800      -1.020800      -1.500900    
 H   -6.073400      -2.861800      0.3609000    
 H   -6.226400      -2.311800       2.029800    
 H   -5.898900      2.1199999E-02   1.363500    
 H   -7.175700     -0.6788000      0.3699000    
 H   -3.629800     -0.4361000      -2.576400    
 H   -2.123000     -0.3371000      -1.709500    
 H   -1.732400      -2.879900      0.7358000    
 H   -1.599800      -1.122800      0.8704000    
 H   -1.368100      -1.936800     -0.6926000    
 H   -4.162700       1.930300      -1.845200    
 H   -2.626700       1.788100      -2.683300    
 H   -2.418800       3.222300     -0.6975000    
 H   -2.929600       1.895200      0.3690000    
 H    4.115700      -1.966700     -0.2235000    
 H    6.332700      -3.000500     -0.5641000    
 H    7.124600      -1.453700     -0.2371000    
 H    5.280500      -2.950800       1.746100    
 H    4.261500      -1.578200       2.219400    
 H    6.002800      -1.365600       2.107700    
 H    1.802700       2.593900       2.111400    
 H   0.6615000      0.3647000      -1.421900    
 H    5.191500      -1.951200      -2.552000    
 H    6.958400      -1.888200      -2.664300    
 H    6.052800     -0.4336000      -2.225900    
 H    4.064300       1.645000       1.954900    
 H    2.902500     -0.5483000      -1.569100    


%chk=000045231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045231

0 1
O -0.991194 1.234077 -0.780714
O 5.133109 -0.390138 0.339359
O -0.511863 2.716891 0.954876
N -4.306109 -0.533850 -0.307590
C -4.114649 -1.743574 0.559181
C -5.063821 -1.654854 1.782818
C -5.723251 -0.383628 -0.738877
C -6.541924 -1.477660 1.380954
C -6.684481 -0.251981 0.456176
C -3.394406 -0.449908 -1.480593
C -2.659154 -1.880848 1.056366
C -3.126491 1.012235 -1.910947
C -2.370907 1.805925 -0.846720
C -0.143620 1.792680 0.183649
C 5.626308 -1.484919 -0.550028
C 1.206945 1.173488 0.173502
C 7.158350 -1.349177 -0.542384
C 3.817564 0.061452 0.229755
C 5.138759 -2.844315 -0.021689
C 2.168222 1.634872 1.115320
C 1.571876 0.148876 -0.735436
C 3.457799 1.087057 1.145945
C 2.864465 -0.411197 -0.713504
C 7.659001 -0.037488 -1.179867
H -4.388227 -2.671352 -0.014735
H -4.936833 -2.570572 2.392323
H -4.742949 -0.794084 2.403315
H -5.800359 0.513402 -1.380125
H -6.039408 -1.260861 -1.365967
H -6.893584 -2.384710 0.846216
H -7.176079 -1.367502 2.281240
H -6.437941 0.670162 1.017170
H -7.723103 -0.154426 0.084883
H -3.798848 -1.022233 -2.352892
H -2.423665 -0.900410 -1.221594
H -2.614760 -2.642541 1.856086
H -2.309185 -0.918936 1.473508
H -1.952415 -2.193960 0.268538
H -4.079857 1.537042 -2.115637
H -2.548440 1.016104 -2.855471
H -2.287225 2.879444 -1.094741
H -2.848297 1.696945 0.142816
H 5.247246 -1.297937 -1.576868
H 7.579059 -2.221571 -1.080589
H 7.504284 -1.419553 0.506885
H 5.475285 -3.656668 -0.691704
H 4.038287 -2.888531 0.046899
H 5.553127 -3.029518 0.984957
H 1.877439 2.427340 1.812541
H 0.833594 -0.204066 -1.461075
H 7.362213 0.030243 -2.243752
H 8.760682 0.031026 -1.132174
H 7.235935 0.834247 -0.651877
H 4.209213 1.433278 1.861758
H 3.115583 -1.201222 -1.426689


