%chk=000050035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050035

0 1
 O    1.954700      0.4201000     -9.8999999E-02
 O   -4.970700       1.467000      0.1428000    
 O   0.8979000      -1.606100     -0.1864000    
 N    5.631200      0.1738000     -0.1918000    
 N  -0.2894000      0.4060000     -3.9999999E-02
 C    4.314600      0.8084000     -0.1388000    
 C    3.212600     -0.2385000     -0.1694000    
 C    5.797500     -0.7523000      0.9278000    
 C    6.687000       1.185500     -0.1796000    
 C   -1.641300     -6.8999999E-03 -2.7700000E-02
 C   -2.642600      0.9479000      5.2900001E-02
 C   0.8408000     -0.3846000     -0.1155000    
 C   -1.939100      -1.358600     -9.7300000E-02
 C   -3.976500      0.5403000      6.4099997E-02
 C   -3.273000      -1.766200     -8.6099997E-02
 C   -4.291700     -0.8166000     -5.5000000E-03
 C   -6.312000      0.9808000      0.1496000    
 H    4.182100       1.477700     -0.9987000    
 H    4.201400       1.437100      0.7550000    
 H    3.264600     -0.9133000      0.6902000    
 H    3.267200     -0.8242000      -1.095200    
 H    5.208400      -1.664900      0.7945000    
 H    5.549600     -0.2952000       1.892800    
 H    6.837100      -1.098200      0.9845000    
 H    7.672400      0.7164000     -0.2786000    
 H    6.679200       1.781300      0.7405000    
 H    6.578700       1.865700      -1.031900    
 H  -0.1322000       1.409500      1.3200000E-02
 H   -2.401800       2.006500      0.1071000    
 H   -1.207100      -2.150400     -0.1616000    
 H   -5.305400      -1.202300     -1.4000000E-03
 H   -3.518800      -2.822900     -0.1402000    
 H   -6.511000      0.3612000       1.030500    
 H   -6.557800      0.4650000     -0.7849000    
 H   -6.971400       1.852400      0.2165000    


%chk=000050035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050035

0 1
O 1.930086 0.370366 -0.298478
O -4.930456 1.540741 0.033592
O 0.921311 -1.759050 -0.156747
N 5.666599 0.265684 -0.051761
N -0.317503 0.267776 -0.169289
C 4.282154 0.770313 0.091583
C 3.266869 -0.271045 -0.399009
C 6.031747 -0.740125 0.968188
C 6.662915 1.352927 -0.131981
C -1.666742 -0.172231 -0.078146
C -2.668337 0.826751 -0.059536
C 0.829557 -0.507820 -0.202818
C -2.025285 -1.547060 -0.011319
C -4.030796 0.461558 0.024395
C -3.390015 -1.883607 0.072146
C -4.408149 -0.902570 0.091603
C -6.358310 1.226579 0.114676
H 4.174816 1.676859 -0.531500
H 4.033792 1.061463 1.142991
H 3.261527 -1.195332 0.203937
H 3.460472 -0.533493 -1.453799
H 5.333828 -1.594005 0.939586
H 6.031263 -0.327062 2.009299
H 7.043076 -1.129063 0.754545
H 7.660988 0.923781 -0.333057
H 6.735189 1.963838 0.803716
H 6.410232 2.031075 -0.966111
H -0.153962 1.275529 -0.220894
H -2.417268 1.892201 -0.110425
H -1.249099 -2.313480 -0.026440
H -5.457262 -1.203181 0.157203
H -3.671341 -2.941473 0.123494
H -6.600564 0.689365 1.052358
H -6.688504 0.623735 -0.753690
H -6.867631 2.201458 0.104090


