%chk=000098061.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098061

0 1
 O    4.564600     -0.4494000      -1.415800    
 N   -1.288000      -1.238600      1.6700000E-02
 N    2.840500     -0.7413000      0.8950000    
 N    3.232500       1.403700      -1.677700    
 C    1.617400     -0.9023000      0.1122000    
 C   0.6519000      0.2516000      0.3944000    
 C   0.9389000      -2.239300      0.4243000    
 C  -0.6756000      4.8500001E-02 -0.3408000    
 C  -0.3981000      -2.361000     -0.3115000    
 C   -2.578200      -1.395500     -0.6543000    
 C    3.513100      0.5032000      0.5532000    
 C    4.777600      0.6472000       1.408600    
 C   -3.545100     -0.3064000     -0.2724000    
 C    3.829600      0.4090000     -0.9330000    
 C    5.572500       1.898600       1.056200    
 C   -4.380100     -0.4866000      0.8215000    
 C   -3.587400      0.8628000      -1.019300    
 C   -5.275700      0.5224000       1.175600    
 C   -4.483100       1.871800     -0.6651000    
 C   -5.327200       1.701500      0.4323000    
 H    1.835000     -0.9331000     -0.9624000    
 H    1.035000       1.220400      6.4800002E-02
 H   0.4585000      0.3321000       1.473100    
 H   0.7654000      -2.334500       1.504900    
 H    1.591900      -3.071400      0.1333000    
 H   -1.291000      0.8938000     -2.2600001E-02
 H  -0.5151000      0.1277000      -1.424000    
 H  -0.2196000      -2.415800      -1.393600    
 H  -0.8662000      -3.306200     -1.0700000E-02
 H    2.619700     -0.7526000       1.890600    
 H   -3.023700      -2.363000     -0.3857000    
 H   -2.461400      -1.417400      -1.747000    
 H    2.902800       1.383500      0.7745000    
 H    5.432000     -0.2245000       1.278800    
 H    4.505200      0.6880000       2.470700    
 H    4.955900       2.797300       1.158900    
 H    5.957100       1.857600      3.2600001E-02
 H    6.430300       1.999000       1.729000    
 H   -4.346800      -1.400000       1.408600    
 H   -2.948100       1.004100      -1.886200    
 H    3.371000       1.453000      -2.681600    
 H    2.650800       2.126100      -1.266500    
 H   -5.932700      0.3902000       2.030200    
 H   -4.525900       2.788600      -1.245900    
 H   -6.025000       2.486900      0.7075000    


%chk=000098061-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098061

0 1
O 4.892678 -0.574289 -1.337562
N -1.373184 -1.043198 -0.216314
N 2.794766 -0.607281 0.841300
N 3.987376 1.537226 -1.652931
C 1.555188 -0.701670 0.043960
C 0.551007 0.470719 0.240889
C 0.844029 -2.033066 0.365515
C -0.732369 0.244539 -0.582502
C -0.456333 -2.187822 -0.446932
C -2.684979 -1.231559 -0.879038
C 3.730901 0.495377 0.581877
C 4.935589 0.384256 1.551651
C -3.762352 -0.280380 -0.364377
C 4.253010 0.413831 -0.880826
C 5.910379 1.576097 1.463692
C -3.838706 0.041812 1.014544
C -4.732543 0.256086 -1.246154
C -4.866490 0.878933 1.501010
C -5.766180 1.091061 -0.761715
C -5.836902 1.405016 0.614873
H 1.852815 -0.724951 -1.025525
H 1.010035 1.433312 -0.059866
H 0.284890 0.542642 1.314443
H 0.594721 -2.061062 1.446297
H 1.530180 -2.872391 0.151640
H -1.455676 1.059182 -0.399547
H -0.477035 0.265442 -1.676502
H -0.195825 -2.285680 -1.534515
H -0.976567 -3.117953 -0.149983
H 2.638495 -0.758453 1.845585
H -3.002159 -2.275154 -0.677349
H -2.611931 -1.134512 -1.993378
H 3.267416 1.508991 0.722013
H 5.457452 -0.562078 1.320379
H 4.541551 0.302212 2.585887
H 5.403983 2.533300 1.693101
H 6.353682 1.655980 0.454683
H 6.739632 1.453946 2.183160
H -3.073280 -0.364412 1.685423
H -4.678649 0.021011 -2.317016
H 4.331138 1.566668 -2.612898
H 3.474627 2.334676 -1.280583
H -4.913639 1.121010 2.569225
H -6.509838 1.498551 -1.456309
H -6.635701 2.053737 0.992075


