%chk=000044953.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044953

0 1
 O   -1.997100      0.4491000     -0.7167000    
 O   -2.275100     -0.4529000       1.397200    
 N    3.471500      0.5922000      0.2936000    
 N   -4.129900     -7.6600000E-02  4.5299999E-02
 C    1.508500     -0.5846000     -0.5537000    
 C    2.084700      0.5425000      3.2699998E-02
 C    2.337300      -1.771500     -0.9242000    
 C   0.1369000     -0.6162000     -0.8053000    
 C    1.288800       1.638300      0.3668000    
 C  -0.6218000      0.4804000     -0.4639000    
 C  -8.2900003E-02   1.606800      0.1151000    
 C    2.436000      -2.784700      0.2120000    
 C    3.994900      0.1302000       1.562700    
 C    4.387900       1.093100     -0.7103000    
 C   -2.761300     -6.1999999E-02  0.3365000    
 C   -5.081600     -0.5768000       1.027000    
 C   -4.696700      0.3927000      -1.214800    
 H    1.898500      -2.265100      -1.801200    
 H    3.342900      -1.481200      -1.244200    
 H  -0.3261000      -1.487200      -1.260100    
 H    1.726000       2.522500      0.8238000    
 H  -0.7025000       2.459500      0.3743000    
 H    2.882000      -2.357200       1.112500    
 H    3.050500      -3.636200     -9.7499996E-02
 H    1.445700      -3.167000      0.4830000    
 H    3.199100     -0.1669000       2.254800    
 H    4.571600      0.9271000       2.044200    
 H    4.657800     -0.7281000       1.412800    
 H    4.314800       2.183700     -0.7766000    
 H    4.171000      0.6748000      -1.698600    
 H    5.424700      0.8403000     -0.4634000    
 H   -5.783500      0.2240000       1.276600    
 H   -4.582700     -0.9099000       1.940400    
 H   -5.626400      -1.419600      0.5917000    
 H   -5.394100       1.208000      -1.001000    
 H   -5.237100     -0.4348000      -1.683700    
 H   -3.935700      0.7539000      -1.908900    


%chk=000044953-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044953

0 1
O -1.985433 0.485257 0.079955
O -2.482097 -1.808647 -0.287007
N 3.708711 0.613738 0.178661
N -4.166017 -0.187638 -0.111443
C 1.619901 -0.723402 -0.069980
C 2.275495 0.536480 0.142142
C 2.430570 -2.011455 -0.195438
C 0.205039 -0.771924 -0.108370
C 1.478257 1.693819 0.369137
C -0.557245 0.398804 0.096403
C 0.072834 1.632523 0.353999
C 1.749601 -3.277049 0.372708
C 4.313405 1.715288 0.944395
C 4.438167 0.331475 -1.076183
C -2.850341 -0.614308 -0.122276
C -5.227450 -1.188955 -0.294431
C -4.596756 1.205003 0.078860
H 2.680838 -2.201872 -1.261401
H 3.396619 -1.846586 0.319930
H -0.310715 -1.719276 -0.263448
H 1.961021 2.660158 0.545297
H -0.536896 2.525094 0.524039
H 1.454297 -3.129845 1.427093
H 2.445330 -4.135166 0.326232
H 0.843563 -3.556518 -0.193862
H 3.809507 1.818732 1.919908
H 4.276204 2.701984 0.421653
H 5.377802 1.479315 1.128965
H 4.431043 1.205265 -1.769924
H 3.986869 -0.520575 -1.605036
H 5.491013 0.079675 -0.849289
H -5.894250 -1.213008 0.589272
H -4.765672 -2.178390 -0.426169
H -5.835825 -0.949058 -1.187883
H -5.229153 1.291850 0.984333
H -5.190526 1.543986 -0.792649
H -3.721109 1.855826 0.190709


