%chk=000157759.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157759

0 1
 O   -3.371200       2.526800      0.1613000    
 O   0.4767000      -2.549800     -0.8389000    
 O    5.573700      0.3462000      -1.236300    
 O   0.4239000      -2.575400       1.424000    
 N   -1.419200     -0.4367000      0.3220000    
 N   -1.167300       1.789700      0.1570000    
 N    1.503100       1.644100      9.8300003E-02
 C   -2.780000      0.1605000      0.3135000    
 C   -3.544700     -0.3542000     -0.8989000    
 C   -2.523500       1.649800      0.2010000    
 C   -3.482100     -0.1749000       1.622800    
 C   -2.769600     -7.3799998E-02  -2.186100    
 C   -3.830800      -1.849500     -0.7633000    
 C  -0.5942000      0.5621000      0.2293000    
 C   0.8474000      0.4612000      0.2008000    
 C    1.496100     -0.7671000      0.2734000    
 C    2.886100     -0.7810000      0.2392000    
 C    3.585400      0.4163000      0.1346000    
 C    2.853600       1.590900      6.7900002E-02
 C   0.7646000      -2.020300      0.3829000    
 C    5.072200      0.4352000      9.5600002E-02
 H   -4.507600      0.1687000     -0.9734000    
 H   -4.533500      0.1325000       1.602500    
 H   -3.430900      -1.242300       1.861800    
 H   -3.011300      0.3524000       2.461800    
 H   -1.814400     -0.6076000      -2.225800    
 H   -3.353800     -0.4080000      -3.051600    
 H   -2.579100      0.9936000      -2.333500    
 H   -2.918300      -2.433000     -0.6026000    
 H   -4.303300      -2.229200      -1.676600    
 H   -4.526300      -2.059500      5.5000000E-02
 H  -0.6767000       2.673500      8.1699997E-02
 H    3.424100      -1.724500      0.2922000    
 H    3.342100       2.556700     -1.6300000E-02
 H    5.466400       1.352100      0.5471000    
 H    5.486200     -0.4009000      0.6703000    
 H  -2.0199999E-02  -3.392300     -0.7631000    
 H    4.973700     -0.2161000      -1.755000    


%chk=000157759-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157759

0 1
O -3.356942 2.638738 -0.207304
O 0.235062 -2.423011 -1.205529
O 5.839996 1.421474 -0.359566
O 0.835655 -3.068273 0.949286
N -1.434909 -0.433185 0.324699
N -1.129823 1.795333 -0.165031
N 1.601495 1.548277 -0.025600
C -2.796032 0.209489 0.291303
C -3.698524 -0.451300 -0.810091
C -2.528948 1.708172 -0.059993
C -3.426842 0.137947 1.704085
C -3.047403 -0.353715 -2.211075
C -4.043675 -1.918501 -0.468162
C -0.566552 0.522011 0.056438
C 0.900762 0.370192 0.021291
C 1.547476 -0.894569 0.089400
C 2.954473 -0.912333 0.216112
C 3.687230 0.296884 0.207955
C 2.957732 1.503620 0.046678
C 0.820784 -2.207957 0.043174
C 5.200628 0.314370 0.360803
H -4.631044 0.150215 -0.816582
H -4.430876 0.596814 1.686114
H -3.502593 -0.909391 2.036207
H -2.807416 0.683521 2.437402
H -2.095969 -0.915613 -2.242978
H -3.724878 -0.778863 -2.973432
H -2.844545 0.694304 -2.497529
H -3.121067 -2.504255 -0.302815
H -4.603761 -2.378019 -1.303184
H -4.670037 -2.003408 0.436977
H -0.566274 2.629969 -0.337936
H 3.470383 -1.874743 0.309718
H 3.486621 2.459801 -0.015369
H 5.479843 0.489490 1.414783
H 5.624467 -0.666925 0.059733
H -0.280526 -3.274524 -1.183021
H 5.683329 1.314162 -1.332361


