%chk=000089338.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089338

0 1
 O   0.9991000      -2.314700      0.6891000    
 O    3.159200      -1.888100      0.6113000    
 O   -1.812800      0.3451000      0.1672000    
 O   -3.134800      -1.326100     -0.7089000    
 N    1.974700      -1.626700      0.3535000    
 N  -0.7722000     -0.4533000     -0.3266000    
 N   -4.041900      0.5181000      0.3629000    
 C    2.564200      0.7612000      0.1294000    
 C   0.4892000       1.438700      0.6788000    
 C    1.707900     -0.4048000     -0.4378000    
 C    1.802400       1.159800       1.410600    
 C    2.368800       2.049700     -0.7016000    
 C   0.9152000       2.462500     -0.3826000    
 C   0.3483000      0.1223000     -5.3199999E-02
 C    1.875300     -0.7474000      -1.901900    
 C   -3.007400     -0.2579000     -0.1181000    
 C   -5.435200      0.1616000      0.2279000    
 H    3.621200      0.5325000      0.2891000    
 H  -0.3384000       1.737900       1.319500    
 H    2.217900       2.050500       1.894900    
 H    1.729300      0.3532000       2.147300    
 H    2.538000       1.911800      -1.772500    
 H    3.057400       2.831100     -0.3579000    
 H   0.8929000       3.481700      1.7800000E-02
 H   0.2840000       2.425600      -1.276900    
 H    1.311000      -1.648400      -2.172600    
 H    1.505000      5.2099999E-02  -2.552100    
 H    2.926500     -0.9293000      -2.151700    
 H   -3.811500       1.382900      0.8428000    
 H   -5.954800      0.9928000     -0.2548000    
 H   -5.846700      1.0700000E-02   1.228800    
 H   -5.558900     -0.7480000     -0.3645000    


%chk=000089338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089338

0 1
O 1.391301 -1.895942 1.554802
O 3.209521 -2.204100 0.224434
O -1.909664 0.342404 0.206268
O -3.247042 -0.833136 -1.404743
N 2.119567 -1.601332 0.539849
N -0.744817 -0.397127 -0.319597
N -4.161112 0.339792 0.422546
C 2.656892 0.804875 0.046829
C 0.613329 1.479889 0.839522
C 1.705901 -0.378707 -0.376290
C 2.038311 1.224207 1.415667
C 2.323804 2.054570 -0.828971
C 0.929077 2.537513 -0.278879
C 0.352306 0.182387 0.084738
C 1.766520 -0.874856 -1.825980
C -3.148609 -0.147621 -0.371296
C -5.573320 0.124880 0.093675
H 3.716984 0.509732 0.038012
H -0.181383 1.771694 1.537832
H 2.493918 2.146729 1.814951
H 2.067873 0.442221 2.190366
H 2.303258 1.832238 -1.908461
H 3.101484 2.822539 -0.671516
H 0.998295 3.543507 0.171755
H 0.145352 2.566705 -1.054182
H 1.042321 -1.692193 -1.978496
H 1.489239 -0.061063 -2.514666
H 2.779886 -1.231234 -2.070011
H -3.898917 0.844656 1.269297
H -6.107857 1.085523 -0.021978
H -6.078869 -0.476792 0.871320
H -5.620648 -0.424859 -0.859596


