%chk=000130438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130438

0 1
 O  -0.3185000      0.2964000      -1.778800    
 O   0.9750000       2.970100     -0.1750000    
 O   -2.854800      -1.986800      0.7071000    
 O    1.066800       1.878200       1.864300    
 O   -3.314900      -1.586500      -1.526200    
 O   0.7541000      -3.449600      0.6972000    
 O    2.077000      -4.200700     -0.9870000    
 O    5.485500     -0.3856000       1.571400    
 O    5.393900      6.1400000E-02 -0.6510000    
 N   -3.153400       2.475600      4.3900002E-02
 N   0.4771000      -1.135900     -0.1251000    
 C   -1.252300      0.4334000      0.4170000    
 C  -0.9168000       1.906500      0.5675000    
 C   -2.664200      0.1641000     -6.7000002E-02
 C   -1.864200       2.855500      0.3888000    
 C   -3.552500       1.172900     -0.2130000    
 C  -0.3215000     -0.1210000     -0.6236000    
 C    1.441800      -1.850200     -0.9297000    
 C    2.819500      -1.176400     -0.9396000    
 C   0.4881000       2.234900      0.8540000    
 C   -2.988000      -1.229500     -0.4089000    
 C   -1.660100       4.338300      0.5403000    
 C   -4.986100       1.022400     -0.6437000    
 C    3.526800      -1.081700      0.4184000    
 C    1.467100      -3.286200     -0.4479000    
 C    4.875800     -0.3984000      0.3571000    
 C    2.343000       3.369700     -4.2599998E-02
 C   -3.137700      -3.379200      0.5340000    
 C    2.740700       4.177600      -1.259400    
 C   -2.947200      -4.089300       1.857300    
 H   -1.112700     -5.1399998E-02   1.391100    
 H    1.053700      -1.875500      -1.955500    
 H   -3.841400       3.209900     -8.0200002E-02
 H   0.4101000      -1.381200      0.8585000    
 H    2.717600     -0.1640000      -1.352400    
 H    3.473300      -1.723100      -1.631800    
 H   -2.449900       4.768700       1.166300    
 H  -0.7090000       4.592600       1.016700    
 H   -1.694000       4.826000     -0.4394000    
 H   -5.650800       1.516700      7.3399998E-02
 H   -5.306300     -2.1100000E-02 -0.7082000    
 H   -5.135400       1.483100      -1.625800    
 H    2.903400     -0.5160000       1.119500    
 H    3.683900      -2.088600      0.8205000    
 H    2.977200       2.479300      3.4299999E-02
 H    2.459800       3.978600      0.8609000    
 H   -2.454800      -3.799500     -0.2129000    
 H   -4.171400      -3.502600      0.1923000    
 H   0.7832000      -4.376300       1.017500    
 H    3.783300       4.500400      -1.191000    
 H    2.102100       5.061300      -1.360600    
 H    2.612600       3.586600      -2.172300    
 H   -3.153100      -5.158900       1.760500    
 H   -3.611500      -3.668500       2.619400    
 H   -1.922900      -3.957600       2.221100    
 H    6.368100      4.0899999E-02   1.532500    


%chk=000130438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130438

0 1
O -0.396599 0.001962 -2.094558
O 0.958746 3.310572 0.640376
O -2.542641 -1.901859 1.109042
O 1.129841 1.083622 1.302061
O -4.657458 -1.462240 0.243616
O 0.959452 -3.969708 0.319316
O 2.172782 -4.433567 -1.604438
O 5.352843 -0.528294 0.716058
O 4.267275 0.940872 -0.710651
N -2.871506 2.348039 -1.013550
N 0.181372 -1.561172 -0.481358
C -1.310529 0.317749 0.187752
C -0.865289 1.783386 0.153585
C -2.812882 0.152761 -0.054524
C -1.616110 2.725862 -0.522891
C -3.515054 1.137336 -0.728338
C -0.487520 -0.433796 -0.903764
C 1.171756 -2.200183 -1.352074
C 2.498996 -1.371510 -1.432864
C 0.458065 2.006200 0.747169
C -3.459871 -1.089647 0.401012
C -1.249475 4.168448 -0.793763
C -4.955997 1.093109 -1.183889
C 3.156513 -1.172019 -0.049065
C 1.485932 -3.630798 -0.941299
C 4.266046 -0.146420 -0.087766
C 2.369143 3.493990 1.108097
C -3.102481 -3.174305 1.648914
C 2.699715 4.973121 0.934212
C -2.001735 -3.824875 2.481670
H -1.045415 -0.110688 1.167714
H 0.763134 -2.233311 -2.380727
H -3.393329 3.037779 -1.555602
H 0.022981 -1.924329 0.460195
H 2.243333 -0.390611 -1.868396
H 3.187729 -1.885713 -2.127451
H -2.051775 4.683729 -1.353331
H -1.064014 4.714145 0.145312
H -0.314514 4.228968 -1.373852
H -5.544369 1.899493 -0.704998
H -5.411077 0.127157 -0.930868
H -5.009567 1.240411 -2.280469
H 2.397823 -0.768958 0.653471
H 3.552399 -2.113225 0.367720
H 3.018278 2.839831 0.498104
H 2.433000 3.167999 2.161940
H -3.415969 -3.804291 0.796500
H -4.002235 -2.936847 2.244566
H 1.229202 -4.900780 0.546226
H 3.738591 5.161950 1.261273
H 2.025923 5.605881 1.537975
H 2.612264 5.275471 -0.123640
H -2.363665 -4.786029 2.890894
H -1.710356 -3.177188 3.326677
H -1.107436 -4.019779 1.865093
H 6.040835 0.192102 0.691781


