%chk=000036976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036976

0 1
 O   -1.127000      0.8679000      -2.183100    
 O    4.272600       1.360900      0.9083000    
 O    1.513600      -2.676800     -0.5477000    
 N   -3.343200      0.3915000     -0.4095000    
 N    3.076400      -1.072900      0.1818000    
 N    3.627900      -3.311300      4.2199999E-02
 C   -4.166400     -0.4839000      0.4314000    
 C   -1.963800      0.3892000      4.7600001E-02
 C   -1.098400       1.306200     -0.8253000    
 C   -5.604900     -0.4559000     -9.5899999E-02
 C   -3.604500      -1.907200      0.3510000    
 C   -4.126300      1.7600000E-02   1.879800    
 C   0.3418000       1.315000     -0.3617000    
 C    1.040600      0.1214000     -0.3039000    
 C   0.9293000       2.516300     -4.9000001E-03
 C    2.368200      0.1296000      0.1240000    
 C    2.257000       2.524500      0.4228000    
 C    2.976500       1.331200      0.4874000    
 C    2.630600      -2.363500     -0.1442000    
 H   -3.711100       1.342400     -0.3874000    
 H   -1.860200      0.7407000       1.078900    
 H   -1.549700     -0.6186000     -2.0600000E-02
 H   -1.504700       2.325400     -0.8067000    
 H   -5.654800     -0.7984000      -1.136300    
 H   -6.257300      -1.106800      0.4974000    
 H   -6.025600      0.5559000     -5.7100002E-02
 H   -2.684300      -2.050800      0.9274000    
 H   -3.420800      -2.214900     -0.6855000    
 H   -4.327100      -2.620700      0.7671000    
 H   -4.333500       1.092500       1.943600    
 H   -4.896500     -0.4887000       2.475200    
 H   -3.177700     -0.1840000       2.388000    
 H   0.5288000     -0.7729000     -0.6230000    
 H   0.3797000       3.451800     -5.0600000E-02
 H   -2.059800      0.8274000      -2.455100    
 H    2.724800       3.464000      0.7045000    
 H    4.030400      -1.034300      0.5225000    
 H    4.736500      0.5589000      0.6246000    
 H    3.460100      -4.293000     -0.1508000    
 H    4.552100      -3.057200      0.3743000    


%chk=000036976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036976

0 1
O -1.472993 0.770089 -1.935330
O 4.435619 0.919375 0.539536
O 1.151156 -2.762542 0.061996
N -3.364772 0.687184 -0.109649
N 2.961249 -1.241623 0.160218
N 3.330122 -3.549127 0.288944
C -4.066800 -0.542389 0.406053
C -2.027071 1.038833 0.428517
C -1.131694 1.559544 -0.755316
C -5.459236 -0.557804 -0.271144
C -3.274059 -1.804363 -0.015908
C -4.236990 -0.504768 1.952019
C 0.348213 1.434004 -0.435967
C 0.923270 0.143588 -0.322366
C 1.144030 2.580784 -0.221882
C 2.284774 -0.006190 0.016869
C 2.514856 2.446719 0.105967
C 3.073482 1.163934 0.223593
C 2.391905 -2.521160 0.159842
H -4.004992 1.493735 -0.108933
H -2.055091 1.792508 1.241932
H -1.560706 0.126659 0.835122
H -1.371880 2.632815 -0.936997
H -5.354152 -0.576635 -1.370569
H -6.032118 -1.448672 0.041216
H -6.049984 0.337293 0.007196
H -2.266440 -1.842300 0.434476
H -3.152760 -1.837892 -1.112732
H -3.814534 -2.712657 0.306746
H -4.822480 0.381700 2.262684
H -4.765633 -1.407461 2.310518
H -3.256123 -0.466741 2.460161
H 0.323880 -0.747713 -0.516775
H 0.704910 3.579684 -0.324093
H -2.433770 0.503144 -1.733005
H 3.138699 3.336179 0.262984
H 3.963010 -1.141196 0.345720
H 4.932554 1.764902 0.649031
H 2.964267 -4.497443 0.301508
H 4.337583 -3.405495 0.298320


