%chk=000105343.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105343

0 1
 O  -0.8595000       1.291100       1.173200    
 O    2.213400     -0.2109000     -0.5258000    
 O    1.705000      -1.982900      0.8440000    
 N   -2.392900     -0.2415000      0.2463000    
 N   -2.735800       1.964600     -5.5000000E-02
 N   0.1892000      -1.164500     -0.7100000    
 C   -3.573800     -0.1613000     -0.5877000    
 C   -3.863200       1.328700     -0.6880000    
 C   -1.811900      -1.507600      0.6346000    
 C   -1.870600       1.028900      0.5353000    
 C  -0.8986000      -2.075500     -0.4407000    
 C    1.397200      -1.195900     -4.5100000E-02
 C    3.509600     -0.1247000      7.6700002E-02
 C    4.262100      0.9951000     -0.5619000    
 C    4.729900       2.056500      0.1040000    
 H   -4.399100     -0.7113000     -0.1260000    
 H   -3.348700     -0.5931000      -1.567900    
 H   -1.239600      -1.346600       1.555800    
 H   -2.623900      -2.206600      0.8607000    
 H   -3.945600       1.673600      -1.722200    
 H   -4.767800       1.607900     -0.1399000    
 H   -2.603300       2.969400      2.0999999E-03
 H  -0.4912000      -3.039100     -0.1174000    
 H   -1.438500      -2.224900      -1.381200    
 H   5.5500001E-02 -0.4558000      -1.425000    
 H    3.398100      3.3500001E-02   1.155900    
 H    4.051200      -1.062300     -9.3099996E-02
 H    4.438600      0.9322000      -1.632500    
 H    5.271800       2.837300     -0.4183000    
 H    4.582500       2.166500       1.172700    


%chk=000105343-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105343

0 1
O -1.530183 1.112025 1.624336
O 2.396408 0.016871 0.814090
O 2.148871 -1.875516 -0.582687
N -2.722904 -0.295829 0.122554
N -3.140826 1.910072 0.054672
N 0.315389 -0.840269 0.448744
C -3.577809 -0.118690 -1.067450
C -4.126015 1.334642 -0.877477
C -2.058654 -1.549530 0.496647
C -2.383281 0.933685 0.699824
C -0.665963 -1.767232 -0.133168
C 1.644967 -0.982053 0.156628
C 3.868760 -0.045886 0.569993
C 4.243691 0.622354 -0.729252
C 5.039102 1.717255 -0.813586
H -4.392819 -0.863366 -1.095977
H -2.990844 -0.205003 -2.005126
H -1.962650 -1.566014 1.598513
H -2.719312 -2.385385 0.203146
H -4.161413 1.884206 -1.833370
H -5.143923 1.320966 -0.438422
H -3.139639 2.873186 0.379974
H -0.342530 -2.810345 0.051259
H -0.716376 -1.644760 -1.234791
H -0.016285 -0.067651 1.048443
H 4.304999 0.472670 1.438379
H 4.169455 -1.110299 0.560867
H 3.843349 0.149129 -1.635747
H 5.309540 2.158418 -1.779521
H 5.446992 2.203152 0.082101