%chk=000147329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147329

1 1
 O   -4.641000       1.464400     -0.2317000    
 O    4.812000      -1.901600     -0.4070000    
 O    5.929200      0.1610000      0.1402000    
 O   -5.966000     -0.5271000      3.0700000E-02
 N  -0.3201000       1.362800     -0.1864000    
 C   0.3114000      0.1621000     -3.6200002E-02
 C   0.4494000       2.616600     -0.3868000    
 C    1.654000       2.631700      0.5341000    
 C    1.787600      0.1841000     -1.4400000E-02
 C    2.470800       1.396100      0.2800000    
 C  -0.4648000      -1.000400      0.1208000    
 C   -1.861900     -0.9413000      0.1077000    
 C   -2.474900      0.3113000     -6.3699998E-02
 C   -1.670600       1.443700     -0.2105000    
 C    2.560000     -0.9670000     -0.2650000    
 C    3.871500       1.451200      0.3624000    
 C   -3.867700      0.3512000     -7.7399999E-02
 C    3.938100     -0.8797000     -0.1930000    
 C    4.575700      0.2949000      0.1168000    
 C   0.1496000      -2.370700      0.1560000    
 C   -2.662000      -2.099600      0.2624000    
 C   -4.630400     -0.7849000      7.2600000E-02
 C   -4.057200      -2.025400      0.2450000    
 C    6.072600      -1.233800     -0.1962000    
 C   -5.965200      0.9006000     -0.1605000    
 H  -0.1950000       3.475000     -0.1714000    
 H   0.7291000       2.637200      -1.447200    
 H    1.342000       2.641600       1.585100    
 H    2.243000       3.535800      0.3440000    
 H   -2.090300       2.433500     -0.3544000    
 H    2.196000      -1.896500     -0.6678000    
 H    4.385100       2.375900      0.6033000    
 H    1.008900      -2.400500      0.8320000    
 H  -0.4524000      -3.138200      0.6426000    
 H   0.3668000      -2.736500     -0.8519000    
 H   -2.276300      -3.104200      0.3798000    
 H   -4.663100      -2.917400      0.3589000    
 H    6.605400      -1.738400      0.6180000    
 H    6.670300      -1.314900      -1.111400    
 H   -6.495300       1.130900      -1.091700    
 H   -6.501200       1.367400      0.6739000    


%chk=000147329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147329

1 1
O -4.690572 1.483923 -0.490747
O 4.894838 -1.811187 -0.899222
O 6.009176 0.153352 -0.080388
O -6.052020 -0.487663 -0.275075
N -0.333826 1.344369 -0.107319
C 0.340004 0.105682 0.081157
C 0.486701 2.603471 -0.194545
C 1.638557 2.536999 0.817495
C 1.819502 0.153973 0.025970
C 2.497841 1.338891 0.455909
C -0.446750 -1.052700 0.312952
C -1.883925 -0.993407 0.173162
C -2.498887 0.302211 -0.103172
C -1.681310 1.444392 -0.192665
C 2.573772 -0.958947 -0.474154
C 3.911938 1.418437 0.465720
C -3.907585 0.352398 -0.230992
C 3.960024 -0.856950 -0.456292
C 4.622070 0.300027 0.020352
C 0.176263 -2.356111 0.776044
C -2.728808 -2.142722 0.300993
C -4.693342 -0.794602 -0.104325
C -4.126936 -2.059558 0.159382
C 6.238048 -1.202599 -0.673704
C -6.110282 0.981841 -0.527708
H -0.186288 3.453935 -0.002412
H 0.884707 2.681326 -1.223064
H 1.235769 2.464175 1.846877
H 2.220240 3.472271 0.761018
H -2.107208 2.440549 -0.331734
H 2.092810 -1.840486 -0.898795
H 4.428807 2.323752 0.793602
H 1.191999 -2.210185 1.168440
H -0.432044 -2.794810 1.585508
H 0.230385 -3.106681 -0.035398
H -2.287260 -3.122106 0.494791
H -4.761618 -2.944689 0.248414
H 6.798024 -1.816760 0.049191
H 6.750114 -1.083835 -1.641774
H -6.522079 1.162689 -1.532798
H -6.677754 1.468231 0.281008


