%chk=000005789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005789

0 1
 O    1.602200     -0.1756000     -0.9954000    
 O    3.814800       1.619000      0.1253000    
 O    2.321500      -2.855200     -0.6005000    
 O   -1.169000       2.816900     -0.3790000    
 O   -4.354100     -0.4442000      0.2277000    
 N  -0.4497000      0.6043000     -0.1853000    
 N   -2.747000       1.180500     -7.5400002E-02
 C    3.034700      0.5907000      0.7314000    
 C   0.9442000      0.9090000     -0.3253000    
 C    1.641800       1.106000       1.010700    
 C    2.792900     -0.5327000     -0.2671000    
 C    2.546100      -1.878200      0.4029000    
 C  -0.8231000     -0.7217000     -8.0000004E-03
 C   -1.427400       1.621400     -0.2250000    
 C   -2.086700      -1.140200      0.1350000    
 C   -3.174300     -0.1265000      0.1033000    
 C   -2.467000      -2.573500      0.3248000    
 H    3.564100      0.2619000       1.630500    
 H    1.068400       1.801100     -0.9506000    
 H    1.173600      0.4976000       1.794000    
 H    1.606800       2.151900       1.331400    
 H    3.602000     -0.6190000      -1.000800    
 H    1.694500      -1.867800       1.086700    
 H    3.431800      -2.178400      0.9730000    
 H  -4.2199999E-02  -1.464200      6.8999999E-03
 H    3.897000       2.340800      0.7718000    
 H   -3.468400       1.895600     -0.1011000    
 H    2.181000      -3.703900     -0.1471000    
 H   -2.992300      -2.706800       1.276100    
 H   -1.592100      -3.232200      0.3334000    
 H   -3.124500      -2.905200     -0.4854000    


%chk=000005789-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005789

0 1
O 1.683742 -0.186755 -1.076072
O 4.074032 1.450162 -0.231415
O 1.931732 -2.844958 -0.107653
O -0.956189 2.704578 0.384277
O -4.334141 -0.525789 0.719808
N -0.439034 0.476132 -0.143308
N -2.618408 1.048431 0.536514
C 3.137729 0.693395 0.608159
C 0.960857 0.926692 -0.488899
C 1.763074 1.390464 0.759625
C 2.798837 -0.587841 -0.177633
C 2.410346 -1.751741 0.746261
C -0.849700 -0.850857 -0.297805
C -1.319804 1.496522 0.266446
C -2.134476 -1.269289 -0.026374
C -3.124559 -0.285166 0.431606
C -2.584074 -2.699978 -0.196144
H 3.594971 0.473882 1.595829
H 0.863435 1.722503 -1.245327
H 1.256525 1.054211 1.681243
H 1.834624 2.488335 0.800934
H 3.623352 -0.885688 -0.844035
H 1.621618 -1.441046 1.465448
H 3.314000 -2.053396 1.318249
H -0.070704 -1.529559 -0.660085
H 4.180055 2.363559 0.136490
H -3.284115 1.766643 0.839512
H 1.809932 -3.661520 0.438490
H -2.967126 -3.109048 0.756781
H -1.758040 -3.337591 -0.554419
H -3.418891 -2.763888 -0.917604


