%chk=000000590.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000590

1 1
 O   -3.624800     -0.8689000      0.2635000    
 O   -2.870700       1.278600      0.1088000    
 N    2.178900     -6.2000002E-03  7.7100001E-02
 C    1.048600     -0.3818000     -0.8702000    
 C    1.869300     -0.5334000       1.470900    
 C    3.481000     -0.6182000     -0.4191000    
 C    2.317100       1.508600      0.1270000    
 C  -0.3142000      0.1403000     -0.5306000    
 C   -1.405000     -0.5948000     -0.2739000    
 C   -2.680300      7.5800002E-02  4.6399999E-02
 H    1.330800     -1.2100000E-02  -1.864200    
 H    1.035900      -1.478100     -0.9246000    
 H    1.721200      -1.615700       1.408500    
 H    2.720700     -0.3051000       2.119400    
 H   0.9712000     -4.0800001E-02   1.853900    
 H    3.689000     -0.2265000      -1.419200    
 H    4.281600     -0.3408000      0.2729000    
 H    3.364300      -1.705600     -0.4495000    
 H    2.444700       1.882100     -0.8934000    
 H    1.429300       1.942100      0.5949000    
 H    3.198700       1.750400      0.7290000    
 H  -0.4082000       1.224300     -0.5321000    
 H   -1.368800      -1.678500     -0.2800000    
 H   -4.496200     -0.4741000      0.4811000    


%chk=000000590-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000590

1 1
O -3.678541 -0.862759 0.294402
O -2.897484 1.324458 0.030053
N 2.184872 -0.009640 0.085306
C 1.036200 -0.418466 -0.898283
C 1.899813 -0.563398 1.479904
C 3.491931 -0.600704 -0.442309
C 2.312588 1.512122 0.155187
C -0.302055 0.170186 -0.546395
C -1.388248 -0.580481 -0.224428
C -2.700764 0.088801 0.035307
H 1.371587 -0.074506 -1.894203
H 1.011657 -1.521235 -0.893851
H 1.870240 -1.662833 1.432001
H 2.701501 -0.240373 2.161567
H 0.930013 -0.180253 1.829171
H 3.715767 -0.160741 -1.426125
H 4.303985 -0.367427 0.263029
H 3.383866 -1.691995 -0.536394
H 2.429208 1.912873 -0.863467
H 1.413909 1.934371 0.626135
H 3.197831 1.765028 0.758648
H -0.443674 1.256450 -0.632904
H -1.368326 -1.674395 -0.157344
H -4.561778 -0.433481 0.461593


