%chk=000013990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013990

0 1
 O    1.333000     -0.3567000     -0.7686000    
 O   0.3789000      -2.083400      0.3773000    
 N    4.504200     -0.9973000      0.4299000    
 N  -0.8667000     -0.1373000     -2.1800000E-02
 C    2.535800      -1.106200     -0.8674000    
 C    3.609600     -0.2940000      -1.587200    
 C    3.089600      -1.363000      0.5330000    
 C    4.546200      0.1502000     -0.4749000    
 C    5.102200     -0.7090000       1.724700    
 C   0.2828000     -0.9558000     -0.1058000    
 C   -2.165600     -0.7609000      4.9500000E-02
 C  -0.7805000       1.299400     -5.4000001E-03
 C   -3.163900     -0.1077000      0.7269000    
 C   -1.821200       2.022300     -0.5350000    
 C   -2.338400      -1.975700     -0.5639000    
 C   0.3381000       1.880900      0.5396000    
 C   -4.420000     -0.7102000      0.7958000    
 C   -1.738100       3.414600     -0.5188000    
 C   -3.594600      -2.578100     -0.4951000    
 C   0.4210000       3.273200      0.5558000    
 C   -4.635300      -1.945300      0.1848000    
 C  -0.6171000       4.040000      2.6500000E-02
 H    2.343900      -2.034100      -1.420100    
 H    3.206700      0.5576000      -2.144000    
 H    4.154600     -0.9414000      -2.285500    
 H    2.578000     -0.7588000       1.292800    
 H    2.995300      -2.418200      0.8105000    
 H    5.555100      0.3447000     -0.8518000    
 H    4.162300       1.061400      1.6000000E-03
 H    6.161900     -0.4577000       1.607400    
 H    5.052900      -1.590800       2.372700    
 H    4.607800      0.1233000       2.238500    
 H   -3.026100      0.8082000       1.292100    
 H   -2.672000       1.586700      -1.048600    
 H   -1.562400      -2.477000      -1.132600    
 H    1.141300       1.317800       1.002300    
 H   -5.225500     -0.2274000       1.341600    
 H   -2.537200       4.012000     -0.9482000    
 H   -3.765100      -3.536300     -0.9775000    
 H    1.289400       3.760700      0.9893000    
 H   -5.612700      -2.415700      0.2406000    
 H  -0.5514000       5.124000      3.7300002E-02


%chk=000013990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013990

0 1
O 1.326109 -0.185271 -0.728026
O 0.299366 -2.283238 -0.619752
N 4.598722 -0.905576 0.252112
N -0.900707 -0.272729 -0.173735
C 2.602362 -0.884022 -1.092002
C 3.586440 0.218292 -1.546150
C 3.253763 -1.529660 0.163950
C 4.459508 0.465127 -0.297697
C 5.241719 -1.010868 1.567256
C 0.229329 -1.030848 -0.510188
C -2.197929 -0.847964 0.113349
C -0.758567 1.179353 -0.105296
C -3.265531 0.025895 0.464139
C -1.020899 1.962852 -1.250245
C -2.446019 -2.248689 0.059845
C -0.387620 1.790032 1.112517
C -4.545509 -0.489518 0.754645
C -0.898231 3.368497 -1.178437
C -3.733723 -2.745178 0.354736
C -0.265709 3.195797 1.181161
C -4.793670 -1.879112 0.703658
C -0.519584 3.987416 0.036237
H 2.360565 -1.623500 -1.871829
H 3.046288 1.113515 -1.893991
H 4.212580 -0.167180 -2.369029
H 2.616795 -1.289113 1.051814
H 3.327840 -2.627821 0.088946
H 5.449826 0.892161 -0.535578
H 3.938374 1.160913 0.408744
H 6.251941 -0.565357 1.527504
H 5.351909 -2.074135 1.846978
H 4.667175 -0.499275 2.382148
H -3.102215 1.105285 0.511874
H -1.313756 1.470617 -2.183547
H -1.639648 -2.931251 -0.207406
H -0.196807 1.165635 1.991573
H -5.349857 0.205045 1.022042
H -1.097238 3.977730 -2.066888
H -3.902804 -3.827095 0.308264
H 0.025740 3.671179 2.124129
H -5.788769 -2.276481 0.929981
H -0.424758 5.077542 0.090492


