%chk=000048411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048411

0 1
 O  -0.3583000      -1.943800       1.409800    
 O   0.6617000       1.140400      -1.980900    
 O    3.989000      -1.197100      0.1455000    
 N    1.819400      -1.496700      0.8444000    
 N    2.329200      4.4399999E-02 -0.8490000    
 C   6.8700001E-02  5.4800000E-02  0.1047000    
 C   -1.345400     -7.7399999E-02 -0.4410000    
 C   -1.509500      -1.309300      -1.343300    
 C   0.1080000       1.187000       1.146600    
 C   -2.915200      -1.846000      -1.071800    
 C   -2.368200     -0.3242000      0.6250000    
 C   0.4585000      -1.230800      0.8273000    
 C    1.015300      0.4529000      -1.023300    
 C   -3.226100      -1.287600      0.2757000    
 C  -0.3199000       2.508500      0.5696000    
 C    2.798100     -0.8918000      6.4800002E-02
 C   -1.776000       2.862400      0.6676000    
 C   0.5705000       3.354300      2.8100001E-02
 H   -1.641400      0.7854000      -1.044700    
 H  -0.7757000      -2.101300      -1.156800    
 H   -1.395900      -1.042300      -2.400900    
 H    1.136900       1.291800       1.524200    
 H  -0.4665000      0.9566000       2.051900    
 H   -2.924900      -2.939900      -1.069200    
 H   -3.637200      -1.484900      -1.811300    
 H   -2.473900      0.2226000       1.549600    
 H   -4.067600      -1.600300      0.8766000    
 H    2.123800      -2.268600       1.431100    
 H    3.009300      0.4088000      -1.510400    
 H   -1.913000       3.948100      0.5891000    
 H   -2.388000       2.423000     -0.1191000    
 H   -2.181300       2.580100       1.644400    
 H    1.628000       3.116700     -1.7300000E-02
 H   0.2617000       4.312700     -0.3762000    


%chk=000048411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048411

0 1
O -0.130135 -1.647591 1.896251
O 0.586473 1.161536 -1.997043
O 3.986871 -1.460420 -0.244292
N 1.887100 -1.529147 0.783272
N 2.282627 -0.053702 -1.012957
C 0.052150 0.076919 0.148545
C -1.383031 -0.201450 -0.420558
C -1.468508 -1.476047 -1.328224
C 0.102787 1.305969 1.181491
C -2.934984 -1.989723 -1.176710
C -2.511225 -0.426829 0.579337
C 0.557336 -1.106964 0.993296
C 0.957756 0.432426 -1.043376
C -3.372245 -1.383646 0.150425
C -0.298042 2.684526 0.668160
C 2.806277 -1.039946 -0.160945
C -1.771607 3.052604 0.684451
C 0.654730 3.576968 0.287348
H -1.606520 0.688375 -1.043449
H -0.779305 -2.254360 -0.946907
H -1.193190 -1.260193 -2.374575
H 1.138576 1.355762 1.568982
H -0.542996 1.002661 2.026743
H -2.997084 -3.093811 -1.184810
H -3.579859 -1.628055 -2.004284
H -2.630231 0.156098 1.496767
H -4.291432 -1.679366 0.666228
H 2.237524 -2.269253 1.400687
H 2.906676 0.263205 -1.762362
H -1.924251 4.095523 0.359219
H -2.372506 2.400650 0.025511
H -2.191905 2.947182 1.704206
H 1.722350 3.325607 0.300085
H 0.393923 4.582991 -0.059710


