%chk=000035345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035345

0 1
 O   -3.119700       2.090900      -1.247900    
 N  -0.2443000     -0.6625000      0.1405000    
 N    2.553500     -0.8396000      0.6192000    
 C   -2.357300      0.6249000      0.5465000    
 C   -3.573700       1.238700     -0.1869000    
 C   -4.373000      7.2300002E-02 -0.8047000    
 C   -1.429800     -7.9599999E-02 -0.4859000    
 C   -3.516200     -0.6696000      -1.854100    
 C   -2.830700     -0.2917000       1.696500    
 C   -2.143100      -1.124900      -1.355000    
 C   -4.905300     -0.8754000      0.2863000    
 C   -3.859500      -1.350400       1.296700    
 C   -4.434900       2.133100      0.7163000    
 C   0.4443000      0.3359000      0.9757000    
 C   0.6620000      -1.215200     -0.8806000    
 C    1.686000     -0.2641000       1.650700    
 C    1.893500      -1.840500     -0.2199000    
 C    3.726400     -0.1999000      0.2386000    
 C    3.841400       1.203300      0.3013000    
 C    4.837600     -0.9349000     -0.2208000    
 C    5.019700       1.845200     -7.9700001E-02
 C    6.015900     -0.2929000     -0.6018000    
 C    6.107000       1.097100     -0.5311000    
 H   -1.820100       1.478200      0.9783000    
 H   -5.238800      0.4767000      -1.347000    
 H   -1.085600      0.7057000      -1.176100    
 H   -3.365800     -4.6999999E-03  -2.714900    
 H   -4.065900      -1.535700      -2.242500    
 H   -3.273000      0.3347000       2.481100    
 H   -1.984000     -0.7892000       2.182300    
 H   -2.241400      -2.079200     -0.8290000    
 H   -1.558600      -1.345100      -2.256800    
 H   -5.383600      -1.748300     -0.1749000    
 H   -5.705200     -0.3634000      0.8355000    
 H   -4.370900      -1.711600       2.197800    
 H   -3.342900      -2.230200      0.9022000    
 H   -4.860600       1.611300       1.576300    
 H   -3.843700       2.976600       1.091800    
 H   -5.264100       2.569900      0.1474000    
 H  -0.1764000      0.6807000       1.806800    
 H   0.7254000       1.212500      0.3786000    
 H   0.9746000     -0.4390000      -1.591500    
 H   0.1949000      -2.027200      -1.445200    
 H   -3.899400       2.400800      -1.739600    
 H    2.195400      0.4787000       2.275300    
 H    1.377100      -1.066400       2.334000    
 H    1.595600      -2.693000      0.4038000    
 H    2.560100      -2.235600     -0.9948000    
 H    3.014600       1.826000      0.6313000    
 H    4.796800      -2.020700     -0.2722000    
 H    5.089900       2.927900     -2.8500000E-02
 H    6.863600     -0.8754000     -0.9506000    
 H    7.024300       1.597000     -0.8279000    


%chk=000035345-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035345

0 1
O -3.952104 1.868308 -1.308530
N -0.338114 -0.073778 -0.307671
N 2.581151 0.073049 -0.101182
C -2.625640 0.749084 0.378017
C -4.079789 0.983100 -0.111288
C -4.680159 -0.391189 -0.520625
C -1.732531 0.225082 -0.798240
C -3.871856 -0.955957 -1.718388
C -2.620038 -0.164730 1.636303
C -2.337858 -1.027704 -1.493538
C -4.743243 -1.340091 0.713227
C -3.389843 -1.501218 1.458618
C -4.943540 1.740654 0.917688
C 0.341238 1.116637 0.267268
C 0.547679 -0.632829 -1.361305
C 1.694201 0.730585 0.884839
C 1.917168 -1.046470 -0.793428
C 3.976483 0.010103 0.141645
C 4.662821 1.090545 0.779900
C 4.760156 -1.112310 -0.271084
C 6.055659 1.048981 0.982317
C 6.156707 -1.137500 -0.069861
C 6.822755 -0.062389 0.558607
H -2.241633 1.745116 0.674629
H -5.725375 -0.230380 -0.867252
H -1.700566 1.048537 -1.552587
H -4.066971 -0.307579 -2.592966
H -4.248265 -1.966350 -1.974133
H -3.053752 0.400045 2.484872
H -1.570578 -0.388889 1.901524
H -2.076314 -1.920192 -0.897433
H -1.866346 -1.162627 -2.485455
H -5.108235 -2.333324 0.384042
H -5.505867 -0.952597 1.417725
H -3.575679 -1.950283 2.454091
H -2.750303 -2.219586 0.917113
H -5.048871 1.203691 1.874497
H -4.493579 2.728743 1.122541
H -5.964083 1.902638 0.516215
H -0.280017 1.546982 1.069872
H 0.498608 1.908885 -0.508374
H 0.705807 0.105945 -2.189451
H 0.086057 -1.534082 -1.795437
H -4.866198 2.102532 -1.614158
H 2.173441 1.642020 1.274265
H 1.509027 0.048100 1.746842
H 1.778662 -1.916979 -0.109411
H 2.546334 -1.372353 -1.640337
H 4.114407 1.982237 1.098820
H 4.283695 -1.982030 -0.731631
H 6.547310 1.899644 1.469254
H 6.724404 -2.016586 -0.397830
H 7.905676 -0.089044 0.717762


