%chk=000175228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175228

0 1
 O    2.246400      0.3738000      -2.121600    
 O    1.671900       2.324000       1.836500    
 O    3.748200      -2.431300     -0.6756000    
 N  -0.3953000      0.9602000     -0.3022000    
 N   -2.457900       1.544100     -0.9000000    
 N  -0.8436000      -1.204400      0.7027000    
 N   -3.222200      -1.743400      0.6130000    
 N   -4.837400     -0.2704000     -0.3611000    
 C    1.056900       1.048400     -0.1287000    
 C    1.834300     -7.9300001E-02 -0.8402000    
 C    1.506100       1.002800       1.344600    
 C    3.005600     -0.2928000      7.4299999E-02
 C    2.822100      0.2993000       1.261400    
 C   -1.201800     -6.8099998E-02  8.6099997E-02
 C    4.173500      -1.123500     -0.3229000    
 C   -1.191500       1.904700     -0.8883000    
 C   -2.478600      0.3129000     -0.2942000    
 C   -3.511100     -0.5751000     -9.3999999E-03
 C   -1.925600      -1.981900      0.9257000    
 H    1.334400       2.017200     -0.5715000    
 H    1.257400      -1.001300     -0.9631000    
 H   0.8231000      0.4692000       2.011100    
 H    3.520300      0.2459000       2.085300    
 H    4.896800      -1.208900      0.4950000    
 H    4.683500     -0.6762000      -1.182100    
 H  -0.8010000       2.830800      -1.287900    
 H    2.688000     -0.3686000      -2.568400    
 H    2.366600       2.762900       1.316100    
 H    4.541400      -2.929300     -0.9369000    
 H   -1.730900      -2.926200       1.422800    
 H   -5.570000     -0.9322000     -0.1439000    
 H   -5.055400      0.6005000     -0.8261000    


%chk=000175228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175228

0 1
O 2.424044 0.366294 -2.171459
O 1.792300 2.547234 1.677367
O 4.470796 -1.284602 -1.514648
N -0.393193 0.960647 -0.403175
N -2.545612 1.492625 -1.014737
N -0.836486 -1.162258 0.822782
N -3.233958 -1.723924 0.844254
N -4.880433 -0.379269 -0.190154
C 1.062198 1.067788 -0.257489
C 1.858661 -0.105977 -0.899659
C 1.535698 1.165697 1.238215
C 2.928007 -0.433107 0.137629
C 2.758970 0.274688 1.283930
C -1.206795 -0.058404 0.104384
C 3.961651 -1.491333 -0.131651
C -1.250761 1.856580 -1.061308
C -2.529264 0.289747 -0.284158
C -3.565792 -0.602251 0.119308
C -1.916171 -1.935663 1.148596
H 1.378099 1.982204 -0.789458
H 1.200618 -0.981444 -1.076654
H 0.743996 0.818691 1.922444
H 3.384742 0.212455 2.180348
H 3.492543 -2.496602 -0.061546
H 4.791847 -1.432079 0.598599
H -0.870130 2.748773 -1.554076
H 3.250113 -0.177700 -2.332359
H 2.599581 2.881813 1.206940
H 4.976439 -2.077212 -1.818406
H -1.704255 -2.840284 1.726833
H -5.582005 -1.046180 0.124109
H -5.141249 0.446855 -0.724301


