%chk=000111082.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111082

0 1
 O    2.660100       1.420700      0.8087000    
 O    3.478900      0.5438000      -1.161600    
 O   -1.390800     -0.5757000     -0.2398000    
 O    1.197600      -3.974300      0.9167000    
 O    3.354200      -3.868100      0.2495000    
 O   0.3426000     -0.1534000      -1.686200    
 N   0.5983000      -1.544100      0.1537000    
 C    2.763200       2.740700      0.2650000    
 C    2.896600     -0.9095000      0.7049000    
 C    1.985300      -1.890600     -3.6499999E-02
 C    1.886000       2.822200     -0.9835000    
 C    2.271900       3.717100       1.331600    
 C    4.227000       3.012300     -7.8900002E-02
 C    3.055700      0.4098000     -2.1700000E-02
 C    2.265900      -3.322300      0.3974000    
 C  -0.1058000     -0.7051000     -0.6867000    
 C   -2.240900      0.2718000      -1.020800    
 C   -3.605600      0.3042000     -0.3979000    
 C   -4.568800     -0.6298000     -0.7795000    
 C   -3.911100       1.268100      0.5631000    
 C   -5.837500     -0.5998000     -0.2003000    
 C   -5.179800       1.298000       1.142300    
 C   -6.142900      0.3639000      0.7605000    
 H    2.519400     -0.7353000       1.720900    
 H    3.908800      -1.315700      0.8230000    
 H    2.184800      -1.857200      -1.115000    
 H    2.284700       2.309800      -1.861800    
 H   0.8913000       2.405900     -0.7880000    
 H    1.753500       3.867800      -1.286600    
 H    2.870400       3.627300       2.245400    
 H    1.237400       3.493100       1.616100    
 H    2.319200       4.755200      0.9870000    
 H    4.886900       2.693000      0.7361000    
 H    4.578000       2.519000     -0.9888000    
 H    4.389300       4.084600     -0.2418000    
 H   0.1100000      -1.926800      0.9579000    
 H   -1.818700       1.283700      -1.060500    
 H   -2.302400     -0.1103000      -2.047400    
 H   -4.342200      -1.386900      -1.525500    
 H   -3.168500       1.999700      0.8703000    
 H    1.415400      -4.899200       1.160400    
 H   -6.587300      -1.327400     -0.4970000    
 H   -5.417600       2.048000       1.890900    
 H   -7.130500      0.3870000       1.211700    


%chk=000111082-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111082

0 1
O 2.974784 1.511524 0.242012
O 2.325794 0.098094 -1.518829
O -1.638030 -0.650692 1.905826
O 1.100377 -4.122276 1.267583
O 3.219389 -3.651452 0.446882
O -0.141226 0.541884 0.517372
N 0.264942 -1.666271 1.209956
C 2.986254 2.795540 -0.596011
C 2.604067 -0.788386 0.753880
C 1.517217 -1.861262 0.464346
C 1.569375 3.040958 -1.150881
C 3.376699 3.850776 0.452286
C 4.052297 2.667445 -1.701381
C 2.591788 0.307347 -0.310147
C 2.065524 -3.265295 0.717879
C -0.464436 -0.505392 1.140810
C -2.577717 0.521912 1.869044
C -3.605368 0.380256 0.766975
C -3.307607 0.808273 -0.553499
C -4.879099 -0.178672 1.041406
C -4.268129 0.672972 -1.579774
C -5.841740 -0.312336 0.015730
C -5.537243 0.113898 -1.297947
H 2.477666 -0.353405 1.756787
H 3.596886 -1.275661 0.707488
H 1.326597 -1.804172 -0.634002
H 1.317742 2.310835 -1.935315
H 0.821996 2.952498 -0.344246
H 1.519154 4.060006 -1.576701
H 4.354760 3.608703 0.902999
H 2.622592 3.895250 1.256652
H 3.444541 4.845463 -0.023753
H 5.041275 2.441375 -1.264287
H 3.784216 1.874162 -2.416549
H 4.128410 3.625279 -2.248315
H -0.142370 -2.471313 1.690308
H -3.041520 0.499276 2.867746
H -1.969425 1.434447 1.744686
H -2.320092 1.233007 -0.767311
H -5.115188 -0.511110 2.059979
H 1.483639 -5.032959 1.379810
H -4.029876 1.005217 -2.596350
H -6.824065 -0.743539 0.238972
H -6.282849 0.012996 -2.094814


