%chk=000022215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022215

0 1
 O   -6.171400     -0.6129000     -0.5895000    
 O   0.1920000     -0.8923000      0.1832000    
 N   -3.476200     -0.4408000      0.3090000    
 C   -3.803700     -0.5797000      -1.116800    
 C   -4.520900      -1.069500       1.129200    
 C   -2.167700      -1.022700      0.5999000    
 C   -5.177700      2.3900000E-02  -1.393400    
 C   -5.878400     -0.4554000      0.7993000    
 C   -1.060800     -0.3142000     -0.1594000    
 C    1.263100     -0.2606000     -0.5045000    
 C    1.311800       1.211400     -0.1516000    
 C    2.582200     -0.9690000     -0.2635000    
 C    1.792100       2.113200      -1.084400    
 C    3.551600     -0.9390000      -1.249000    
 C   0.8752000       1.620700       1.095800    
 C    2.782700      -1.627500      0.9355000    
 C    1.837200       3.469000     -0.7592000    
 C    4.764700      -1.591000      -1.027500    
 C   0.9203000       2.976400       1.421000    
 C    3.995800      -2.279300       1.157000    
 C    1.401300       3.900500      0.4935000    
 C    4.986800      -2.261100      0.1754000    
 H   -3.800900      -1.637300      -1.410600    
 H   -3.100000     -4.0300000E-02  -1.756400    
 H   -4.312100     -0.9175000       2.194400    
 H   -4.554200      -2.150400      0.9396000    
 H   -2.141600      -2.097900      0.3762000    
 H   -1.951900     -0.9347000       1.672900    
 H   -5.191400       1.104400      -1.204500    
 H   -5.449500     -0.1320000      -2.442400    
 H   -6.665200     -0.9645000       1.365000    
 H   -5.916000      0.6087000       1.063000    
 H   -1.135900      0.7565000      4.3200001E-02
 H   -1.182500     -0.4589000      -1.237800    
 H    1.038400     -0.3596000      -1.577000    
 H    2.128900       1.790800      -2.065000    
 H    3.389200     -0.4254000      -2.191700    
 H   0.5255000      0.9217000       1.849900    
 H    2.028700      -1.645800       1.716500    
 H    2.210900       4.188600      -1.481700    
 H    5.536000      -1.577800      -1.792100    
 H   0.5876000       3.311800       2.399000    
 H    4.170000      -2.799300       2.094600    
 H    1.437800       4.955800      0.7472000    
 H    5.931500      -2.768400      0.3481000    


%chk=000022215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022215

0 1
O -6.390595 -0.815549 -0.444250
O 0.177529 -0.708306 0.178998
N -3.558724 -0.554794 0.163134
C -4.023941 -1.147806 -1.118174
C -4.557718 -0.810367 1.233143
C -2.187895 -0.979816 0.535189
C -5.394993 -0.566252 -1.499815
C -5.921130 -0.229655 0.823108
C -1.128092 -0.165937 -0.221579
C 1.311217 -0.095291 -0.543715
C 1.460606 1.387670 -0.197008
C 2.557954 -0.927653 -0.226933
C 1.284842 2.382354 -1.187766
C 3.833431 -0.456455 -0.629947
C 1.751845 1.782795 1.133661
C 2.459324 -2.183825 0.417982
C 1.406976 3.753808 -0.862282
C 4.990945 -1.230181 -0.396709
C 1.867429 3.149212 1.463714
C 3.620298 -2.954622 0.658684
C 1.698207 4.139934 0.465266
C 4.888886 -2.484441 0.250004
H -4.107483 -2.261880 -1.040574
H -3.297236 -0.918146 -1.919250
H -4.217862 -0.322468 2.166095
H -4.675632 -1.904751 1.437048
H -2.013597 -2.068038 0.353078
H -2.044449 -0.805444 1.617178
H -5.298476 0.527392 -1.673180
H -5.796676 -1.052533 -2.404300
H -6.698369 -0.473078 1.566328
H -5.835985 0.873397 0.716337
H -1.212149 0.906042 0.043164
H -1.248644 -0.264441 -1.323452
H 1.104920 -0.171344 -1.638288
H 1.052304 2.084813 -2.218650
H 3.921558 0.522143 -1.116940
H 1.884929 1.011958 1.901147
H 1.473558 -2.539422 0.728516
H 1.271821 4.515297 -1.638642
H 5.970166 -0.854025 -0.714200
H 2.092583 3.445516 2.494545
H 3.532629 -3.923699 1.163497
H 1.791976 5.201251 0.721662
H 5.787013 -3.084764 0.434576


