%chk=000178906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178906

0 1
 O   -2.172100       2.584700     -0.5429000    
 O   -3.342000      -3.023100     -0.1858000    
 O   -3.809100       1.461300      0.5639000    
 O   -4.486300      -1.063300     -5.8200002E-02
 N   3.0000001E-04 -0.9173000     -0.1439000    
 N   -1.003100      -1.811000     -0.1696000    
 C  -0.4150000      0.3823000     -6.7800000E-02
 C    1.321000      -1.367200     -0.1928000    
 C   -1.790100      0.3296000     -4.2199999E-02
 C   0.4756000       1.516400     -2.6000001E-02
 C    2.011700      -1.656900      0.9771000    
 C   -2.094400      -1.043400     -0.1074000    
 C    1.928200      -1.518200      -1.433500    
 C   0.9306000       2.000300       1.200500    
 C   0.8813000       2.129500      -1.211600    
 C    3.330700      -2.105100      0.9055000    
 C    1.379800      -1.501200       2.323300    
 C    3.247100      -1.966400      -1.505000    
 C   -2.678900       1.452000      3.5900000E-02
 C    3.948400      -2.259800     -0.3356000    
 C   -3.392600      -1.657800     -0.1121000    
 C    1.790900       3.097400       1.241800    
 C    1.741700       3.226600      -1.170200    
 C    2.196500       3.710500      5.6499999E-02
 H    1.393700      -1.293100      -2.352900    
 H   0.6109000       1.547100       2.134900    
 H   0.5360000       1.764500      -2.176000    
 H    3.890500      -2.334900       1.808300    
 H    1.571000     -0.5007000       2.719400    
 H   0.3020000      -1.685500       2.314800    
 H    1.800900      -2.225900       3.030100    
 H    3.728300      -2.086400      -2.471300    
 H    4.975600      -2.607900     -0.3915000    
 H    2.141700       3.476900       2.197000    
 H    2.057500       3.704200      -2.093100    
 H    2.865700       4.565400      8.8600002E-02
 H   -2.797300       3.337600     -0.4748000    
 H   -4.239300      -3.419700     -0.1879000    


%chk=000178906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178906

0 1
O -3.768067 1.481644 -0.616104
O -3.587924 -2.664848 -1.139609
O -2.657018 2.374558 1.215009
O -4.469527 -1.204536 0.439843
N 0.025838 -0.876241 -0.234827
N -1.039050 -1.748075 -0.449492
C -0.386089 0.421990 0.098929
C 1.364227 -1.416773 -0.345006
C -1.802414 0.369009 0.107179
C 0.550923 1.556276 0.237037
C 2.235682 -1.434916 0.777959
C -2.149030 -0.978823 -0.246646
C 1.735591 -1.979088 -1.587880
C 0.374286 2.526247 1.262323
C 1.641049 1.700802 -0.667589
C 3.523930 -1.996883 0.582250
C 1.826896 -0.913635 2.141367
C 3.018536 -2.538957 -1.749761
C -2.736482 1.490420 0.326799
C 3.920661 -2.535495 -0.660568
C -3.501153 -1.584039 -0.258863
C 1.275931 3.605321 1.382865
C 2.536794 2.781907 -0.542332
C 2.361366 3.736821 0.486638
H 1.009928 -1.979636 -2.407023
H -0.473229 2.437226 1.947006
H 1.778037 0.980400 -1.479886
H 4.217166 -2.024641 1.431050
H 1.964347 0.181256 2.214993
H 0.764891 -1.123032 2.358227
H 2.437798 -1.381640 2.931656
H 3.308511 -2.974815 -2.711310
H 4.921657 -2.965749 -0.774098
H 1.126052 4.344187 2.177373
H 3.366072 2.882330 -1.250804
H 3.058615 4.576393 0.583679
H -4.437962 2.175753 -0.371214
H -4.499438 -3.059220 -1.063671


