%chk=000050259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050259

0 1
 O   -1.613400       2.416500      0.1579000    
 O   -3.759700       1.229700       1.376900    
 N   -1.878100       1.043600      3.5100002E-02
 C    3.351000     -0.6278000      0.4504000    
 C    2.151100     -0.3934000     -0.5127000    
 C    1.440700      0.9826000     -0.4197000    
 C   0.1895000      0.9837000      -1.326300    
 C    4.680800     -0.2719000     -0.2395000    
 C    3.416700      -2.074800      0.9589000    
 C    3.176500      0.3060000       1.666000    
 C    2.396500       2.116100     -0.8219000    
 C  -0.9956000      0.3057000     -0.7207000    
 C   -1.249400      -1.003000     -0.8963000    
 C   -2.420700      -1.616200     -0.2945000    
 C   -2.994600      0.5660000      0.6821000    
 C   -3.260900     -0.8865000      0.4593000    
 C   -2.630300      -3.076200     -0.5549000    
 H    2.463000     -0.5878000      -1.547500    
 H    1.409100      -1.166000     -0.2827000    
 H    1.095900       1.180300      0.6010000    
 H  -7.3700003E-02   2.010100      -1.611700    
 H   0.4382000      0.5027000      -2.283200    
 H    5.525200     -0.4062000      0.4467000    
 H    4.718300      0.7579000     -0.5987000    
 H    4.854300     -0.9254000      -1.102300    
 H    3.516300      -2.775800      0.1228000    
 H    2.509000      -2.342100       1.511600    
 H    4.271200      -2.228600       1.627200    
 H    2.207100      0.1518000       2.154100    
 H    3.324800       1.368200       1.492800    
 H    3.928200      4.9699999E-02   2.425800    
 H    3.257700       2.272500     -0.1794000    
 H    2.770100       1.955200      -1.839900    
 H    1.854300       3.069300     -0.8284000    
 H  -0.5970000      -1.628100      -1.497700    
 H   -4.142200      -1.312300      0.9257000    
 H   -2.736200      -3.264800      -1.628800    
 H   -3.533200      -3.453200     -6.2300000E-02
 H   -1.781800      -3.659800     -0.1817000    
 H   -1.233700       2.445900       1.052800    


%chk=000050259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050259

0 1
O -1.215246 2.187604 0.619615
O -3.139511 1.151028 1.901435
N -1.579101 0.861193 0.236912
C 3.337135 -0.503399 0.614836
C 2.142211 -0.323756 -0.385532
C 1.530883 1.086173 -0.615485
C 0.218430 0.960544 -1.467724
C 4.703977 -0.136995 -0.028237
C 3.387795 -2.010580 0.999519
C 3.122446 0.329912 1.905770
C 2.472458 2.086378 -1.326026
C -0.912415 0.230556 -0.785077
C -1.354789 -1.060264 -1.106957
C -2.439692 -1.675412 -0.401897
C -2.676607 0.346206 1.002126
C -3.080129 -0.977565 0.633325
C -2.882672 -3.073573 -0.787033
H 2.450300 -0.739753 -1.370404
H 1.321897 -0.976552 -0.021000
H 1.239433 1.519690 0.360022
H -0.123206 1.982054 -1.721574
H 0.449794 0.435204 -2.413199
H 5.529283 -0.353682 0.676873
H 4.769685 0.929602 -0.300352
H 4.878943 -0.732329 -0.944954
H 3.489396 -2.646865 0.099197
H 2.467021 -2.317091 1.531077
H 4.249616 -2.219626 1.661219
H 2.139557 0.110725 2.364776
H 3.169915 1.416684 1.708416
H 3.904698 0.091797 2.651143
H 3.337413 2.351727 -0.695447
H 2.861222 1.666711 -2.274136
H 1.937957 3.025862 -1.561537
H -0.847954 -1.590114 -1.918000
H -3.913169 -1.412893 1.191156
H -3.205500 -3.108551 -1.844440
H -3.722157 -3.420747 -0.162426
H -2.052461 -3.796173 -0.677290
H -1.921856 2.319870 1.367612


