%chk=000050000.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050000

0 1
 O   0.6083000       1.458800      -1.162100    
 O   -2.311400       2.270100       1.575100    
 O    3.170000      0.6208000      -1.107100    
 O   -3.378400      -1.566300      -2.199800    
 O   -2.165500      -2.535000     -0.5450000    
 N   -1.278400     -0.1106000      0.4456000    
 N    2.734400      -1.145400      0.3297000    
 N    1.844500      -1.865700       1.071600    
 C   5.6899998E-02 -0.3342000      0.3152000    
 C   -1.925500     -8.3700001E-02   1.753800    
 C   -2.173200     -0.1333000     -0.7074000    
 C   0.9459000      0.3553000     -0.4050000    
 C   -1.743700       1.273300       2.414800    
 C   0.6139000      -1.479800       1.054700    
 C    2.381000     -3.9200000E-02 -0.4298000    
 C   -2.558300      -1.529500      -1.124000    
 C   0.7193000       2.643800     -0.3985000    
 C    4.104600      -1.627000      0.3874000    
 C   0.3555000       3.827500      -1.269300    
 H   -1.553800     -0.8628000       2.425800    
 H   -3.000200     -0.2784000       1.643000    
 H   -1.703000      0.3514000      -1.570200    
 H   -3.092900      0.4224000     -0.4894000    
 H  -0.6855000       1.505200       2.571300    
 H   -2.256800       1.297700       3.381100    
 H  -9.8099999E-02  -2.097000       1.623300    
 H   4.8000000E-02   2.617400      0.4644000    
 H    1.746300       2.773400     -3.5200000E-02
 H    4.131800      -2.656700      1.8600000E-02
 H    4.444000      -1.600300       1.427100    
 H    4.770000      -1.010700     -0.2224000    
 H   -2.180300       3.125200       2.019200    
 H   0.4338000       4.763800     -0.7095000    
 H    1.014600       3.881600      -2.142200    
 H  -0.6672000       3.727100      -1.647600    
 H   -3.613500      -2.484900      -2.451000    


%chk=000050000-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050000

0 1
O 0.567452 1.539494 -0.856425
O -3.909585 1.025179 1.877148
O 3.278202 0.496013 -1.225305
O -3.195780 -0.628074 -2.157837
O -2.245943 -2.099310 -0.628933
N -1.153154 0.096432 0.851398
N 2.832334 -1.148394 0.395804
N 2.010689 -1.856290 1.240270
C 0.192486 -0.286589 0.662783
C -1.872031 -0.312609 2.079002
C -1.986909 0.363330 -0.330240
C 1.071378 0.427859 -0.181887
C -2.704613 0.815517 2.704247
C 0.744137 -1.436671 1.343074
C 2.443696 -0.030983 -0.410612
C -2.453695 -0.925980 -1.007119
C 1.453382 2.718989 -1.132339
C 4.202458 -1.681059 0.276036
C 0.571065 3.753891 -1.822264
H -1.124500 -0.602187 2.836757
H -2.528525 -1.188456 1.896128
H -1.430643 0.973568 -1.060432
H -2.885245 0.926967 -0.023896
H -2.095187 1.740711 2.761116
H -2.997036 0.504350 3.729953
H 0.117596 -2.070150 1.973714
H 1.838735 3.086919 -0.161327
H 2.300985 2.385570 -1.750747
H 4.177467 -2.684166 -0.182522
H 4.655287 -1.753132 1.277817
H 4.775601 -0.994290 -0.362739
H -4.473567 1.731765 2.278898
H 1.165700 4.660025 -2.040053
H 0.181362 3.360195 -2.776890
H -0.284126 4.041624 -1.185722
H -3.502373 -1.475755 -2.580653


