%chk=000087752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087752

0 1
 O    1.807000       2.417200     -0.7704000    
 O    2.208600      -1.522500       1.714400    
 N   -2.824200     -0.6314000     -0.5341000    
 N    1.934000      0.4031000      0.4160000    
 C   -1.909700      8.9900002E-02  0.3838000    
 C  -0.4289000     -0.1127000     -5.0000001E-02
 C   -2.267200       1.591900      0.4133000    
 C  -9.3000002E-02  -1.606500     -0.1632000    
 C   -2.518600      -2.068400     -0.5930000    
 C   -1.090900      -2.314500      -1.065700    
 C   -4.235400     -0.4478000     -0.1600000    
 C   -3.733600       1.830100      0.7549000    
 C   0.5678000      0.5511000      0.9059000    
 C   -4.630800       1.025200     -0.1704000    
 C    2.428400       1.403400     -0.4445000    
 C    2.647900     -0.7160000      0.8914000    
 C    3.849700       1.214300     -0.9219000    
 C    4.064100     -0.8570000      0.3846000    
 C    4.224900     -0.2493000     -0.9912000    
 H   -2.032900     -0.3110000       1.400600    
 H  -0.3020000      0.3329000      -1.047800    
 H   -2.043400       2.048500     -0.5596000    
 H   -1.668500       2.120300       1.161800    
 H  -0.1134000      -2.080400      0.8254000    
 H   0.8948000      -1.767900     -0.6042000    
 H   -3.196800      -2.563700      -1.298800    
 H   -2.669800      -2.539500      0.3873000    
 H  -0.9748000      -1.959200      -2.097500    
 H  -0.8843000      -3.390800      -1.073600    
 H   -4.433500     -0.8759000      0.8316000    
 H   -4.880000     -0.9738000     -0.8749000    
 H   0.4763000      0.1220000       1.910900    
 H   0.3641000       1.621000       1.002700    
 H   -3.969500       2.896800      0.6732000    
 H   -3.919900       1.537800       1.795700    
 H   -5.675900       1.131200      0.1420000    
 H   -4.559600       1.421300      -1.191200    
 H    3.941900       1.662300      -1.917500    
 H    4.513000       1.759800     -0.2411000    
 H    4.734200     -0.3793000       1.108100    
 H    4.311600      -1.923400      0.3442000    
 H    3.580800     -0.7699000      -1.710700    
 H    5.259800     -0.3577000      -1.332700    


%chk=000087752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087752

0 1
O 1.766665 2.099247 -1.243647
O 2.197608 -1.155324 2.070409
N -2.899008 -0.605697 -0.537740
N 1.962914 0.418423 0.357875
C -1.921402 0.090168 0.355587
C -0.475659 -0.052615 -0.218047
C -2.321667 1.579825 0.516395
C -0.117919 -1.540140 -0.450837
C -2.569508 -2.040578 -0.731403
C -1.172965 -2.215918 -1.346777
C -4.302220 -0.466963 -0.066360
C -3.782942 1.760550 0.978335
C 0.535714 0.640967 0.735734
C -4.733695 1.005512 0.028383
C 2.489048 1.225595 -0.690695
C 2.719951 -0.527320 1.109704
C 3.943997 1.001737 -1.092956
C 4.180331 -0.722763 0.715107
C 4.447088 -0.416623 -0.769584
H -1.934057 -0.391049 1.375560
H -0.459941 0.473113 -1.193544
H -2.175017 2.084464 -0.459214
H -1.647312 2.065308 1.245349
H -0.062090 -2.063558 0.525315
H 0.883720 -1.621662 -0.915523
H -3.339414 -2.479750 -1.393989
H -2.612424 -2.599536 0.242462
H -1.164030 -1.756808 -2.354150
H -0.950705 -3.294169 -1.463804
H -4.438671 -0.949771 0.939515
H -4.951788 -1.011376 -0.778095
H 0.420289 0.250835 1.761699
H 0.376964 1.730559 0.726544
H -4.037871 2.836582 1.020708
H -3.900295 1.359800 2.007098
H -5.779941 1.063711 0.385706
H -4.694535 1.459871 -0.980477
H 4.018447 1.241864 -2.166836
H 4.558441 1.754166 -0.557402
H 4.793588 -0.056455 1.355928
H 4.448345 -1.757089 0.987541
H 3.927796 -1.157270 -1.407203
H 5.526469 -0.498363 -0.988871


