%chk=000003864.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003864

0 1
 O   -2.462100       1.675700      0.1848000    
 O   -4.030500      0.4373000     -0.9623000    
 O    4.274500       2.071900      0.4074000    
 O    2.116600       1.677900      0.2282000    
 N   -3.710000      -1.675900      0.7116000    
 N    1.393200     -0.7870000     -0.2471000    
 N    3.625900      1.6500000E-02  1.1000000E-02
 N    3.310500      -2.195700     -0.3985000    
 N    3.301900       1.331900      0.2268000    
 C   -1.354500     -0.9161000      0.8563000    
 C  -0.9306000      -1.524300     -0.4897000    
 C   -2.838000     -0.5244000      0.9378000    
 C   0.5358000      -1.946900     -0.4975000    
 C   -3.200500      0.5533000     -6.9799997E-02
 C    2.674400     -0.9803000     -0.2152000    
 C   -2.706500       2.786400     -0.6841000    
 H   -1.136300      -1.637800       1.654700    
 H  -0.7401000     -3.2400001E-02   1.067900    
 H   -1.544300      -2.402500     -0.7193000    
 H   -1.097100     -0.7937000      -1.290400    
 H   -3.055300     -0.1272000       1.936600    
 H   0.7645000      -2.383800      -1.477000    
 H   0.6905000      -2.713300      0.2718000    
 H   -3.491000      -2.408100       1.386200    
 H   -4.679200      -1.411000      0.8842000    
 H   -2.464500       2.518800      -1.717000    
 H   -2.057600       3.609600     -0.3737000    
 H   -3.748400       3.109800     -0.6015000    
 H    4.598100     -0.2831000      7.6000001E-03
 H    4.321300      -2.270900     -0.3597000    
 H    2.800000      -3.052600     -0.5786000    


%chk=000003864-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003864

0 1
O -2.332238 1.644009 0.502463
O -3.741990 0.397914 -0.872085
O 4.485929 2.111267 -0.638871
O 4.467075 0.587308 1.082799
N -3.539125 -1.820878 0.974494
N 1.335617 -1.077155 -1.205120
N 2.985260 0.403408 -0.697408
N 2.596776 -1.369107 0.875411
N 4.030762 1.062448 -0.045811
C -1.135787 -1.177442 0.686229
C -1.005230 -1.806142 -0.716430
C -2.580591 -0.708302 1.037121
C 0.446668 -2.240967 -1.041693
C -2.973066 0.467694 0.114948
C 2.243501 -0.772341 -0.316722
C -2.581611 2.833407 -0.351817
H -0.857109 -1.927267 1.452185
H -0.450934 -0.313736 0.780625
H -1.654578 -2.700540 -0.786074
H -1.332943 -1.091953 -1.495621
H -2.553500 -0.319035 2.070829
H 0.441242 -2.782566 -2.006221
H 0.784781 -2.970330 -0.266417
H -4.376899 -1.667923 1.545550
H -3.800220 -2.060716 0.010539
H -2.254487 2.633179 -1.385818
H -1.987661 3.636896 0.105183
H -3.656047 3.082175 -0.352862
H 2.707264 0.828163 -1.587863
H 3.367760 -0.976370 1.422502
H 2.082082 -2.183002 1.197454


