%chk=000072230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072230

0 1
 O   0.8476000       1.575000      0.9961000    
 O   -1.715600       1.303500     -0.1111000    
 O    4.833100      0.5606000       1.181400    
 O    3.718600      -3.523100     -0.6159000    
 O   -2.667000      0.8374000      -2.154900    
 N    2.674900      0.2637000      0.3470000    
 N    4.264100      -1.470900      0.2816000    
 C    2.243000       1.593000      0.6633000    
 C   0.1968000       2.673800      0.3347000    
 C    2.409100       2.558100     -0.4944000    
 C    1.301800       3.549200     -0.2353000    
 C  -0.7296000       2.111100     -0.7350000    
 C    1.765300     -0.5811000     -0.2553000    
 C    3.980200     -0.1498000      0.6451000    
 C    2.040300      -1.844700     -0.6017000    
 C    3.402300      -2.372900     -0.3237000    
 C    1.052000      -2.757300      -1.254200    
 C   -2.628300      0.7223000     -0.9397000    
 C   -3.601000     -9.1200002E-02 -0.1673000    
 C   -4.885600     -0.2320000     -0.6511000    
 C   -3.190200     -0.6810000       1.010500    
 C   -5.799400     -0.9961000      7.4900001E-02
 C   -4.103900      -1.445100       1.736400    
 C   -5.408500      -1.602600       1.268500    
 H    2.782500       1.963300       1.543500    
 H  -0.3930000       3.212200       1.084600    
 H    2.246800       2.065100      -1.460700    
 H    3.402700       3.015200     -0.5229000    
 H    1.631200       4.265100      0.5278000    
 H    1.006000       4.116800      -1.122000    
 H  -0.1794000       1.510400      -1.466700    
 H   -1.223100       2.936600      -1.262000    
 H   0.7770000     -0.1976000     -0.4646000    
 H    5.202700      -1.803800      0.4837000    
 H   8.4100001E-02  -2.268900      -1.409500    
 H   0.8811000      -3.642700     -0.6332000    
 H    1.420500      -3.083600      -2.232200    
 H   -5.202600      0.2380000      -1.577300    
 H   -2.176700     -0.5852000       1.388700    
 H   -6.815500      -1.118300     -0.2890000    
 H   -3.799000      -1.920300       2.664200    
 H   -6.119800      -2.198000       1.833400    


%chk=000072230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072230

0 1
O 0.996516 1.852378 1.259436
O -1.474868 1.322897 -0.094419
O 4.837004 0.657620 0.132195
O 3.207659 -3.573342 -1.049342
O -2.596012 1.250448 -2.137092
N 2.525413 0.265699 0.265283
N 3.971181 -1.448882 -0.450512
C 2.361584 1.674850 0.776056
C 0.306318 2.890182 0.436413
C 2.610780 2.754968 -0.313656
C 1.459938 3.772537 -0.092162
C -0.516849 2.277121 -0.700707
C 1.447222 -0.613488 0.136097
C 3.852144 -0.125682 -0.008458
C 1.586205 -1.912137 -0.301867
C 2.928319 -2.409478 -0.636623
C 0.422117 -2.862240 -0.442108
C -2.494509 0.861687 -0.947909
C -3.391673 -0.112493 -0.268336
C -4.455430 -0.673630 -1.022860
C -3.209012 -0.486270 1.089659
C -5.329801 -1.602763 -0.424054
C -4.087758 -1.416588 1.683313
C -5.147309 -1.975865 0.929447
H 3.052386 1.780556 1.629532
H -0.365097 3.407734 1.140993
H 2.557713 2.296951 -1.316492
H 3.610348 3.199423 -0.203974
H 1.739183 4.513131 0.676371
H 1.197085 4.315946 -1.016106
H 0.109169 1.734212 -1.432698
H -1.077483 3.062178 -1.241191
H 0.482284 -0.193373 0.430370
H 4.923572 -1.763514 -0.662170
H -0.528710 -2.378946 -0.158864
H 0.568728 -3.756627 0.190499
H 0.338277 -3.228267 -1.481583
H -4.575775 -0.369600 -2.067914
H -2.389681 -0.043176 1.663161
H -6.149616 -2.035775 -1.006845
H -3.949011 -1.705500 2.730557
H -5.827049 -2.698684 1.394261


