%chk=000138669.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138669

0 1
 O   -3.209300       1.923300       1.610600    
 O    2.866100       2.744100      0.9800000    
 N   -3.332700      0.3111000     -9.3300000E-02
 N    3.239000      0.4905000      0.4542000    
 N   -1.415300       1.743600      0.1811000    
 N    1.195300       1.222000       1.414600    
 C  -0.6228000       2.761000      0.8321000    
 C   0.2603000       2.186700       1.927100    
 C   -2.688300       1.386100      0.6283000    
 C    2.472100       1.573800      0.9621000    
 C   -2.590300     -0.7029000     -0.6993000    
 C   -4.793000      0.2332000     -0.1056000    
 C    4.214500      0.7309000     -0.5835000    
 C    3.159500     -0.8394000      0.9984000    
 C   -2.750900     -0.9670000      -2.059600    
 C   -5.425100      -1.010300     -0.1152000    
 C    5.398700     -5.7999999E-03 -0.6116000    
 C    2.854600      -1.916400      0.1660000    
 C   -1.686900      -1.452200      5.4600000E-02
 C   -5.554100       1.402300     -0.1069000    
 C    3.972400       1.699100      -1.558000    
 C    3.388100      -1.051700       2.358000    
 C   -2.008600      -1.980400      -2.665800    
 C   -6.817900      -1.084800     -0.1266000    
 C    6.340800      0.2259000      -1.613800    
 C    2.777900      -3.205600      0.6931000    
 C  -0.9444000      -2.465400     -0.5518000    
 C   -6.946900       1.327700     -0.1182000    
 C    4.914500       1.930800      -2.560400    
 C    3.311500      -2.340900       2.885000    
 C   -1.105300      -2.729600      -1.912000    
 C   -7.578800      8.3999999E-02 -0.1281000    
 C    6.098700       1.194100      -2.588100    
 C    3.006400      -3.417900       2.052500    
 H  -1.4500000E-02   3.235300      5.4299999E-02
 H   -1.287900       3.523300       1.251600    
 H   0.8078000       2.993900       2.425000    
 H  -0.3454000       1.673600       2.681900    
 H   -1.032500       1.299700     -0.6472000    
 H   0.8874000      0.2584000       1.332100    
 H   -3.443400     -0.3873000      -2.665000    
 H   -4.865200      -1.941100     -9.4400004E-02
 H    5.635600     -0.7515000      0.1420000    
 H    2.663100      -1.767800     -0.8937000    
 H   -1.554100      -1.264600       1.117200    
 H   -5.090100       2.384500     -0.1247000    
 H    3.048700       2.271000      -1.577300    
 H    3.631600     -0.2229000       3.017700    
 H   -2.132400      -2.185000      -3.725200    
 H   -7.310300      -2.052900     -0.1300000    
 H    7.265300     -0.3438000      -1.632900    
 H    2.537300      -4.043500      4.5499999E-02
 H  -0.2484000      -3.054300      3.7200000E-02
 H   -7.539800       2.237700     -0.1249000    
 H    4.723800       2.680700      -3.322600    
 H    3.490300      -2.506500       3.943400    
 H  -0.5279000      -3.519500      -2.383400    
 H   -8.663200      2.6100000E-02 -0.1372000    
 H    6.832100       1.374400      -3.368600    
 H    2.946100      -4.421600       2.463000    


%chk=000138669-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138669

0 1
O -3.037099 2.149711 1.343289
O 2.719367 2.912596 0.147245
N -3.323014 0.323255 -0.149686
N 3.256016 0.613108 0.394564
N -1.443721 1.775394 -0.301902
N 1.190429 1.504156 1.179608
C -0.624792 2.912400 0.143990
C 0.228728 2.594691 1.396608
C -2.621097 1.458640 0.363287
C 2.405360 1.752907 0.554811
C -2.689277 -0.543010 -1.124595
C -4.658045 -0.011006 0.286958
C 4.473045 0.678918 -0.382339
C 2.917899 -0.651377 1.015899
C -3.202578 -0.617054 -2.443835
C -5.073742 -1.369483 0.248896
C 5.560741 -0.162124 -0.024182
C 2.666985 -1.787703 0.204746
C -1.569207 -1.332163 -0.759067
C -5.575619 0.982693 0.722589
C 4.601548 1.537871 -1.506315
C 2.857272 -0.768830 2.428287
C -2.595082 -1.470761 -3.390469
C -6.383501 -1.725876 0.633568
C 6.751378 -0.149881 -0.780908
C 2.349888 -3.026690 0.802681
C -0.956374 -2.174357 -1.714057
C -6.879261 0.610544 1.113054
C 5.801477 1.547206 -2.248645
C 2.523267 -2.007938 3.020564
C -1.467915 -2.247951 -3.030645
C -7.296842 -0.739781 1.070056
C 6.882180 0.705340 -1.898485
C 2.269816 -3.140324 2.211606
H 0.041473 3.208935 -0.683635
H -1.290119 3.760663 0.385907
H 0.785850 3.506120 1.676481
H -0.439635 2.316638 2.229072
H -1.132808 1.216047 -1.095656
H 0.936796 0.555740 1.454280
H -4.074846 -0.011416 -2.710954
H -4.374965 -2.145289 -0.079324
H 5.477093 -0.820073 0.846547
H 2.736372 -1.689316 -0.883830
H -1.194748 -1.291653 0.269567
H -5.261450 2.025816 0.777402
H 3.783728 2.207492 -1.775653
H 3.078160 0.105692 3.049460
H -2.996351 -1.524614 -4.408319
H -6.684983 -2.778885 0.597100
H 7.579766 -0.804704 -0.487833
H 2.166836 -3.903782 0.171553
H -0.090772 -2.779260 -1.422418
H -7.574471 1.387840 1.450074
H 5.888128 2.218786 -3.110329
H 2.476209 -2.090951 4.111799
H -0.996458 -2.906265 -3.768327
H -8.312261 -1.017528 1.372449
H 7.808845 0.718603 -2.482258
H 2.020182 -4.101558 2.673367


