%chk=000055042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055042

0 1
 O    3.988800     -0.6698000       1.133300    
 O    3.685900      0.5257000     -0.8638000    
 O   -5.161900     -0.1127000      0.2814000    
 N   0.2198000      0.2678000     -0.3690000    
 N   -1.840900       1.277300     -0.1458000    
 N   -3.785000     -0.1025000      0.1164000    
 N   -3.659200      -2.521800      0.1569000    
 N   -3.863500       2.271100      7.1500003E-02
 C    3.013700     -0.1227000      0.2306000    
 C    2.155500      0.8969000      0.9882000    
 C    2.136400      -1.252900     -0.3200000    
 C   0.9910000       1.401500      0.1371000    
 C   0.9703000     -0.7149000      -1.148300    
 C    5.222000     -0.6041000      0.4190000    
 C    5.050500      0.6065000     -0.4554000    
 C   -1.120600      0.1825000     -0.2071000    
 C   -1.730100      -1.189500     -0.1030000    
 C   -3.065100      -1.288300      5.8200002E-02
 C   -3.207600       1.150100      1.9700000E-02
 H    2.770000       1.750500       1.299500    
 H    1.771200      0.4388000       1.909100    
 H    1.753600      -1.859100      0.5112000    
 H    2.738700      -1.925000     -0.9437000    
 H   0.3777000       2.068100      0.7546000    
 H    1.359500       1.997000     -0.7066000    
 H    1.358000     -0.2180000      -2.047100    
 H   0.3651000      -1.545800      -1.521900    
 H    5.322000      -1.519700     -0.1739000    
 H    6.065700     -0.5257000       1.108800    
 H    5.182500       1.535100      0.1102000    
 H    5.714700      0.6135000      -1.322900    
 H   -1.099900      -2.070200     -0.1141000    
 H   -4.662800      -2.573800      0.2766000    
 H   -3.101900      -3.365400      0.1093000    
 H   -3.196100       3.044500     -2.5300000E-02
 H   -5.474300     -0.1642000     -0.6383000    


%chk=000055042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055042

0 1
O 3.889405 -0.285098 1.392052
O 3.816196 0.285890 -0.917731
O -5.118614 -0.325368 0.607852
N 0.243337 0.031665 -0.783865
N -1.732358 0.970635 0.075016
N -3.783340 -0.288698 0.250526
N -4.014989 -2.489573 -0.355836
N -3.754929 1.917729 0.917232
C 2.959003 -0.064475 0.253371
C 2.016547 1.098381 0.602854
C 2.194938 -1.349391 -0.101787
C 0.955109 1.296745 -0.508492
C 1.138895 -1.058812 -1.202790
C 5.266511 -0.270540 0.848765
C 5.140647 0.654570 -0.373407
C -1.096054 -0.139520 -0.443095
C -1.796919 -1.369633 -0.624100
C -3.161358 -1.423225 -0.265460
C -3.034976 0.876875 0.400836
H 2.611952 2.020861 0.731065
H 1.520182 0.876139 1.565192
H 1.693719 -1.721487 0.810083
H 2.912675 -2.114410 -0.447974
H 0.211922 2.050029 -0.211723
H 1.462248 1.627641 -1.436726
H 1.665971 -0.751823 -2.127894
H 0.569720 -1.970527 -1.433800
H 5.578981 -1.291393 0.553670
H 5.926581 0.114823 1.642150
H 5.159588 1.722333 -0.077840
H 5.881778 0.465632 -1.165706
H -1.330769 -2.265551 -1.034902
H -4.969658 -2.282929 -0.031920
H -3.725525 -3.392829 -0.712679
H -3.315877 2.818868 1.069377
H -4.736841 1.707266 1.123086


