%chk=000044678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044678

0 1
 O    1.976500       1.795400      0.4566000    
 O    2.056500       2.273700       2.715200    
 N   -4.509000      0.9137000      0.5454000    
 C   0.4693000     -0.1511000      0.1960000    
 C    1.853300      0.3992000      0.7519000    
 C  -0.7155000      0.6558000      0.8666000    
 C   0.4759000      1.6300000E-02  -1.359100    
 C   0.2006000      -1.648900      0.5518000    
 C   -2.134300      0.3217000      0.3681000    
 C    3.111200     -0.3152000      0.2129000    
 C   -3.171100       1.232500       1.030000    
 C   7.3200002E-02   1.222500      -1.932600    
 C   0.7332000      -2.194900       1.719600    
 C   0.8838000      -1.040800      -2.172800    
 C  -0.5717000      -2.440000     -0.2990000    
 C    4.406000      0.2572000      0.7823000    
 C   7.8900002E-02   1.371500      -3.319500    
 C   0.4935000      -3.532000       2.036700    
 C   0.8894000     -0.8917000      -3.559600    
 C  -0.8115000      -3.777000      1.8300001E-02
 C    2.069100       2.616200       1.540700    
 C   0.4869000      0.3144000      -4.132900    
 C  -0.2789000      -4.322900       1.186100    
 C   -4.733200       1.504800     -0.7751000    
 C   -5.524600       1.381700       1.490100    
 C    2.192500       4.037700       1.082300    
 H    1.855900      0.2511000       1.835600    
 H  -0.5568000       1.734000      0.7486000    
 H  -0.6857000      0.4812000       1.951800    
 H   -2.389700     -0.7126000      0.6215000    
 H   -2.183700      0.4112000     -0.7188000    
 H    3.074900      -1.387800      0.4251000    
 H    3.177500     -0.1962000     -0.8736000    
 H   -3.111600       1.054800       2.112300    
 H   -2.924400       2.290900      0.8742000    
 H  -0.2320000       2.075600      -1.336400    
 H    1.318600      -1.616600       2.424300    
 H    1.312200      -1.960800      -1.786400    
 H   -1.100300      -2.051200      -1.164200    
 H    5.262800     -0.3173000      0.4154000    
 H    4.552500       1.298900      0.4812000    
 H    4.407700      0.2069000       1.875600    
 H  -0.2288000       2.312500      -3.766200    
 H   0.9023000      -3.956100       2.949300    
 H    1.231300      -1.705400      -4.192600    
 H   -1.432800      -4.387000     -0.6310000    
 H   0.4980000      0.4329000      -5.212400    
 H  -0.4714000      -5.362000       1.436600    
 H   -4.048800       1.099900      -1.526400    
 H   -4.629800       2.596200     -0.7643000    
 H   -5.742300       1.265600      -1.130600    
 H   -5.401400      0.8937000       2.463500    
 H   -6.528700       1.121100       1.137100    
 H   -5.481300       2.466900       1.638400    
 H    3.100700       4.156900      0.4862000    
 H    2.257900       4.695500       1.953700    
 H    1.310200       4.316900      0.5009000    


%chk=000044678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044678

0 1
O 1.966043 1.780930 0.396366
O 1.922113 2.338438 2.670948
N -4.547443 0.914739 0.848347
C 0.455596 -0.174568 0.085574
C 1.822709 0.316355 0.709740
C -0.683619 0.641642 0.804523
C 0.499308 0.075969 -1.443239
C 0.217711 -1.669832 0.440732
C -2.134320 0.291898 0.404421
C 3.104324 -0.365243 0.204595
C -3.126609 1.296533 1.025940
C -0.020256 1.263216 -2.019473
C 0.675641 -2.224104 1.667397
C 1.160280 -0.836262 -2.310417
C -0.595001 -2.492401 -0.383481
C 4.350188 0.030959 1.023774
C 0.097703 1.523813 -3.402896
C 0.361725 -3.550096 2.038532
C 1.283140 -0.582411 -3.692867
C -0.913165 -3.817689 -0.016851
C 2.024716 2.676482 1.469469
C 0.749132 0.601217 -4.250655
C -0.431899 -4.359259 1.195722
C -4.978586 0.915526 -0.563898
C -5.441385 1.734107 1.691587
C 2.220991 4.087251 0.955196
H 1.760010 0.250561 1.812363
H -0.510642 1.722348 0.636517
H -0.562953 0.481595 1.894012
H -2.400924 -0.721569 0.754033
H -2.225570 0.292311 -0.697686
H 2.957524 -1.460243 0.260484
H 3.253830 -0.110669 -0.859738
H -2.934143 1.354211 2.115754
H -2.923156 2.321898 0.607716
H -0.519820 2.005024 -1.389420
H 1.280031 -1.627172 2.358134
H 1.576410 -1.764463 -1.904341
H -0.987524 -2.092509 -1.323997
H 5.253277 -0.465695 0.625474
H 4.523016 1.121455 0.985205
H 4.244414 -0.256665 2.086378
H -0.317409 2.450398 -3.815995
H 0.734472 -3.947330 2.989578
H 1.796025 -1.309506 -4.332833
H -1.543798 -4.423448 -0.677544
H 0.840734 0.800853 -5.324167
H -0.676783 -5.388118 1.481768
H -4.392317 0.185425 -1.145977
H -4.871360 1.918342 -1.054623
H -6.040990 0.618594 -0.623499
H -5.144941 1.638237 2.751575
H -6.480746 1.372409 1.592791
H -5.430232 2.823917 1.427786
H 3.178644 4.160336 0.410973
H 2.217686 4.793525 1.797756
H 1.421196 4.348237 0.240839


