%chk=000042636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042636

0 1
 O    1.466500       2.706000      0.2778000    
 O    4.584100      -1.887900     -0.2023000    
 O    4.768600      0.2873000      2.9300001E-02
 N   -1.712900     -0.2870000     -5.4499999E-02
 N   -4.545200       0.000000      0.1797000    
 N   0.2555000       2.039500      0.2024000    
 N    2.540000       1.836600      0.1874000    
 N    4.062700     -0.7486000     -8.3600000E-02
 C   -2.373800      0.9170000     -0.5672000    
 C   -2.442900      -1.016600      0.9900000    
 C   -3.826300      0.6138000     -0.9433000    
 C   -3.892500      -1.258100      0.5627000    
 C  -0.3158000     -0.3667000     -5.8100000E-02
 C   -5.944600     -0.2353000     -0.1740000    
 C   0.5589000      0.7428000      6.3900001E-02
 C   0.3684000      -1.600800     -0.1888000    
 C    2.011100      0.6139000      5.4299999E-02
 C    1.782500      -1.726300     -0.1981000    
 C    2.655600     -0.6298000     -7.7600002E-02
 H   -2.357600       1.706600      0.1943000    
 H   -1.863000       1.289200      -1.463700    
 H   -1.982000      -1.988800       1.199400    
 H   -2.414500     -0.4369000       1.921700    
 H   -3.847600     -4.4100001E-02  -1.822800    
 H   -4.310100       1.555700      -1.229200    
 H   -4.426000      -1.716100       1.404500    
 H   -3.915400      -1.976000     -0.2684000    
 H   -6.489500     -0.6599000      0.6765000    
 H   -6.441300      0.7086000     -0.4248000    
 H   -6.049100     -0.9171000      -1.025700    
 H  -0.2127000      -2.516700     -0.3014000    
 H    2.185800      -2.733000     -0.3074000    


%chk=000042636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042636

0 1
O 1.283402 2.561329 -1.279430
O 4.503866 -1.999543 0.049654
O 4.707911 0.088139 -0.873915
N -1.683661 -0.188923 0.469276
N -4.559321 -0.150572 0.085721
N 0.094813 1.950104 -0.772952
N 2.447523 1.699937 -1.134013
N 4.009463 -0.859322 -0.334839
C -2.439596 1.092377 0.407797
C -2.531531 -1.312588 0.938197
C -3.713165 0.941739 -0.444220
C -3.809571 -1.422607 0.078954
C -0.321064 -0.314804 0.293573
C -5.863744 -0.251780 -0.599390
C 0.497138 0.735629 -0.315550
C 0.405281 -1.483000 0.664550
C 1.938602 0.580212 -0.539405
C 1.795044 -1.629695 0.448274
C 2.585349 -0.636190 -0.147257
H -2.736169 1.360100 1.442236
H -1.803561 1.888126 -0.002905
H -1.985460 -2.263674 0.869067
H -2.815225 -1.138941 1.995369
H -3.424373 0.768657 -1.511971
H -4.278659 1.889952 -0.396474
H -4.446966 -2.219657 0.504434
H -3.519757 -1.733982 -0.958158
H -6.476880 -1.033186 -0.116699
H -6.402701 0.707613 -0.509564
H -5.774390 -0.499990 -1.685840
H -0.105957 -2.305797 1.166696
H 2.300260 -2.548362 0.761784


