%chk=000030271.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030271

0 1
 O  -0.7562000     -0.8551000     -0.9209000    
 O    3.860400      -1.391000      0.1273000    
 O   -1.538700       1.699000      -1.167500    
 N   -3.319200     -0.5593000      0.2811000    
 C   -2.812700      -1.843100     -0.2028000    
 C   -1.295900      -1.890900     -0.1106000    
 C   0.4314000     -0.3064000     -0.5126000    
 C   0.5216000       1.050500     -0.2197000    
 C   -2.900300     -0.3331000       1.663900    
 C   -4.777000     -0.5119000      0.1744000    
 C    1.547100      -1.129800     -0.3987000    
 C    1.740400       1.590100      0.1913000    
 C    2.766000     -0.5901000      1.2400000E-02
 C    2.862500      0.7698000      0.3074000    
 C  -0.6363000       1.925600     -0.3385000    
 C  -0.7673000       3.150000      0.5593000    
 C    5.074200     -0.7744000      0.5543000    
 H   -3.100100      -1.961000      -1.255200    
 H   -3.241800      -2.683600      0.3572000    
 H  -0.9565000      -2.848000     -0.5258000    
 H  -0.9314000      -1.852700      0.9227000    
 H    1.482200      -2.188700     -0.6349000    
 H   -3.392500      0.5607000       2.066800    
 H   -3.153100      -1.173700       2.320600    
 H   -1.830400     -0.1224000       1.746500    
 H   -5.092000     -0.6533000     -0.8656000    
 H   -5.262800      -1.278000      0.7896000    
 H   -5.154200      0.4694000      0.4833000    
 H    1.849500       2.648100      0.4136000    
 H    3.778300       1.254200      0.6288000    
 H  -0.2847000       4.007200      8.3800003E-02
 H  -0.3277000       2.960200       1.542200    
 H   -1.829100       3.366600      0.7123000    
 H    4.984300     -0.3676000       1.567200    
 H    5.419200     -2.4300000E-02 -0.1654000    
 H    5.838800      -1.557300      0.5911000    


%chk=000030271-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030271

0 1
O -0.949135 -0.381035 -0.003786
O 3.786831 -1.102886 0.511991
O -1.821043 2.200166 -0.044390
N -3.464931 -1.718711 1.198654
C -2.648822 -2.136890 0.038464
C -1.155801 -1.834130 0.193524
C 0.342370 0.120322 0.056325
C 0.518913 1.539314 -0.150110
C -4.639357 -2.587478 1.414949
C -3.844727 -0.284529 1.169496
C 1.462870 -0.712543 0.275281
C 1.852511 2.027590 -0.155467
C 2.769117 -0.172585 0.280704
C 2.978118 1.211206 0.057763
C -0.619442 2.493873 -0.320288
C -0.303342 3.907967 -0.830814
C 5.169633 -0.612942 0.529323
H -3.006520 -1.695626 -0.924759
H -2.731281 -3.237347 -0.059895
H -0.570428 -2.385873 -0.572352
H -0.819998 -2.120648 1.208972
H 1.359400 -1.786349 0.443623
H -5.151134 -2.280343 2.345000
H -5.392120 -2.540718 0.585882
H -4.321535 -3.639592 1.533890
H -2.969113 0.346215 0.956842
H -4.616595 -0.066652 0.387907
H -4.263414 0.000457 2.152050
H 2.017344 3.096977 -0.316034
H 3.979561 1.648397 0.054188
H 0.322431 3.893983 -1.741001
H 0.228445 4.499335 -0.061041
H -1.258280 4.409783 -1.049803
H 5.320239 0.132018 1.333847
H 5.450368 -0.172317 -0.446368
H 5.784869 -1.502708 0.726332


