%chk=000111720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111720

0 1
 O   0.9886000      -2.226800     -0.1876000    
 O   -2.896100       1.687600     -0.3089000    
 O   -3.945500      -2.254200     -0.3272000    
 O   -4.551600     -0.1445000     -0.3500000    
 N    1.770300      0.4891000     -0.1733000    
 N   -3.666400      -1.031900     -0.3227000    
 C    4.750900       1.640000      0.6135000    
 C    4.945600       1.090600     -0.7920000    
 C    3.655700      0.9419000       1.412200    
 C    3.688900       1.119800      -1.654900    
 C    2.244400       1.302300      0.9483000    
 C    2.657300      6.3900001E-02  -1.258200    
 C   0.4236000      0.1059000     -0.2103000    
 C   3.5500001E-02  -1.252800     -0.2174000    
 C  -0.6009000       1.077900     -0.2420000    
 C   -1.945800      0.7102000     -0.2790000    
 C   -1.309500      -1.620400     -0.2543000    
 C   -2.300200     -0.6390000     -0.2852000    
 C   0.9564000      -3.130500      0.9149000    
 C   -2.922800       2.597500      0.7883000    
 C    2.363000      -3.613700       1.197500    
 C   -4.341300       3.086900      0.9885000    
 H    3.807800     -0.1439000       1.415400    
 H    3.756400       1.274100       2.453500    
 H    3.246900       2.123200      -1.665800    
 H    4.001900      0.9055000      -2.684900    
 H    5.699200       1.533200       1.154900    
 H    4.546000       2.716600      0.5637000    
 H    5.721800       1.688000      -1.286200    
 H    5.335500      6.6699997E-02 -0.7371000    
 H    1.577200       1.146900       1.807000    
 H    2.174600       2.365800      0.6903000    
 H    2.053600     -0.1454000      -2.151600    
 H    3.152300     -0.8766000     -0.9890000    
 H  -0.3290000       2.131900     -0.2518000    
 H   -1.561400      -2.678100     -0.2690000    
 H   0.5563000      -2.642100       1.812100    
 H   0.3159000      -3.981600      0.6598000    
 H   -2.574100       2.114900       1.709800    
 H   -2.266700       3.445300      0.5631000    
 H    2.374000      -4.319800       2.032400    
 H    2.787400      -4.103000      0.3146000    
 H    3.018200      -2.770100       1.439000    
 H   -4.391900       3.813100       1.804800    
 H   -4.721200       3.555300      7.4600004E-02
 H   -5.009900       2.251700       1.220500    


%chk=000111720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111720

0 1
O 1.164370 -2.383000 0.136319
O -2.973763 1.471120 0.404687
O -3.773211 -2.652814 -0.149653
O -4.648419 -0.573627 0.192854
N 1.814319 0.395320 0.392853
N -3.635866 -1.368023 0.058536
C 4.457311 2.498206 0.381968
C 4.870703 1.445343 -0.669277
C 3.509541 1.971305 1.486251
C 3.689494 0.689655 -1.321421
C 2.056513 1.718588 1.021029
C 2.927099 -0.254699 -0.351991
C 0.489224 -0.042255 0.284766
C 0.120090 -1.435123 0.130900
C -0.581943 0.893430 0.390835
C -1.949098 0.534502 0.324648
C -1.225798 -1.796427 0.051025
C -2.275994 -0.844772 0.142491
C 0.787556 -3.811520 0.091604
C -2.620481 2.897707 0.583636
C 2.083538 -4.615490 0.148354
C -3.942823 3.656919 0.642565
H 3.922316 1.059724 1.959993
H 3.452573 2.735629 2.285815
H 2.978643 1.396657 -1.794155
H 4.091377 0.061087 -2.140629
H 5.371552 2.907918 0.855120
H 3.960215 3.351390 -0.125401
H 5.471210 1.941407 -1.457357
H 5.537599 0.697104 -0.192006
H 1.382688 1.785851 1.896756
H 1.771223 2.548053 0.331529
H 2.493943 -1.090709 -0.914559
H 3.650688 -0.701892 0.359447
H -0.330876 1.950401 0.476031
H -1.540763 -2.836533 -0.054159
H 0.129374 -4.040854 0.954115
H 0.226438 -4.014988 -0.843086
H -2.039889 3.019687 1.521241
H -1.998300 3.234558 -0.271410
H 1.854874 -5.696305 0.123262
H 2.732544 -4.377529 -0.712000
H 2.638929 -4.397875 1.076645
H -3.754138 4.737750 0.777205
H -4.515052 3.509848 -0.288446
H -4.558628 3.296673 1.483371


