%chk=000153776.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153776

0 1
 O   0.2598000      0.5068000     -0.5283000    
 O    1.642900      -1.597600     -0.2950000    
 O  -9.3000002E-02  0.4416000       1.752900    
 O    3.598100     -0.4703000      0.1001000    
 O    3.370300       2.177400      0.1377000    
 N    1.627900      0.7020000     -0.2522000    
 C   -1.921100      0.1921000      0.2429000    
 C   -2.723900     -0.5435000       1.090800    
 C   -2.401000      0.7449000     -0.9271000    
 C  -0.4952000      0.3954000      0.6005000    
 C    2.348300      -2.836900     -0.1664000    
 C   -4.064100     -0.7347000      0.7545000    
 C   -3.741100      0.5538000      -1.263500    
 C    2.392000     -0.4598000     -0.1376000    
 C    2.179800       1.968800     -0.1038000    
 C   -4.572600     -0.1861000     -0.4228000    
 C    1.376800      -3.980300     -0.3676000    
 C    1.216300       3.126400     -0.2152000    
 H   -2.338600     -0.9787000       2.008100    
 H   -1.779200       1.337100      -1.591800    
 H    3.139700      -2.886400     -0.9224000    
 H    2.793400      -2.901100      0.8327000    
 H   -4.711400      -1.311400       1.408700    
 H   -4.138400      0.9837000      -2.178500    
 H   -5.616300     -0.3344000     -0.6845000    
 H    1.883200      -4.945100     -0.2748000    
 H   0.5681000      -3.932600      0.3692000    
 H   0.9096000      -3.919400      -1.356000    
 H   0.5841000       3.166800      0.6754000    
 H   0.5936000       3.021500      -1.107700    
 H    1.776900       4.062200     -0.2960000    


%chk=000153776-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153776

0 1
O 0.348161 0.721027 -0.488735
O 1.617915 -1.478027 -0.373085
O 0.012744 0.293849 1.812679
O 3.732847 -0.503786 -0.087647
O 3.501717 2.311530 0.282506
N 1.764394 0.811565 -0.189225
C -1.860889 0.113012 0.242680
C -2.829914 -0.084912 1.263173
C -2.245807 0.070900 -1.124148
C -0.459942 0.351726 0.666049
C 2.274465 -2.824399 -0.382552
C -4.175711 -0.317313 0.917643
C -3.595023 -0.162281 -1.461431
C 2.497225 -0.411183 -0.205164
C 2.282177 2.126277 0.084809
C -4.560512 -0.354636 -0.444472
C 1.158552 -3.848049 -0.554415
C 1.231511 3.224146 0.106952
H -2.509998 -0.054665 2.309985
H -1.490979 0.210255 -1.902291
H 3.005071 -2.845164 -1.211034
H 2.822352 -2.946706 0.568744
H -4.922864 -0.469093 1.703572
H -3.894662 -0.197342 -2.514076
H -5.607460 -0.535778 -0.711783
H 1.589344 -4.865748 -0.567235
H 0.436208 -3.786733 0.277190
H 0.616884 -3.687781 -1.502117
H 0.540230 3.084179 0.957338
H 0.630787 3.234095 -0.817816
H 1.756074 4.183237 0.226206


