%chk=000092946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092946

0 1
 O    3.502400      -1.423500     -0.6673000    
 O    1.186800       1.269400       1.668800    
 O    2.628000      -3.168300      0.4736000    
 O   -4.801300      0.8860000      0.1335000    
 N    1.422300      0.1289000     -0.3378000    
 N   0.8073000       3.611700      0.2633000    
 C    1.246400      -1.202400      0.1945000    
 C   6.0500000E-02  -1.912200     -0.4717000    
 C   -1.240600      -1.163700     -0.3095000    
 C    1.578400       2.539400     -0.3609000    
 C    1.377200       1.268300      0.4543000    
 C    2.510500      -2.032400      2.5599999E-02
 C   -2.043100      -1.426100      0.7893000    
 C   -1.607900     -0.2273000      -1.262700    
 C    3.055600       2.909800     -0.4061000    
 C   -3.245000     -0.7339000      0.9388000    
 C   -2.809500      0.4649000      -1.113100    
 C   -3.628200      0.2115000     -1.2500000E-02
 H    1.074300      -1.125200       1.275000    
 H   0.2618000      -2.057600      -1.542500    
 H  -5.0600000E-02  -2.926300     -6.4599998E-02
 H    1.632500      0.2187000      -1.327800    
 H    1.200300       2.389300      -1.378200    
 H   -1.751500      -2.158700       1.536300    
 H  -0.9799000     -2.3700001E-02  -2.125300    
 H    3.638500       2.113300     -0.8816000    
 H    3.466300       3.055200      0.5998000    
 H    3.215800       3.830300     -0.9777000    
 H   -3.878000     -0.9353000       1.798700    
 H   -3.096800       1.198700      -1.861300    
 H   0.9251000       4.471400     -0.2722000    
 H    1.179800       3.810900       1.191500    
 H    4.294300      -1.995900     -0.7538000    
 H   -4.907100       1.499200     -0.6141000    


%chk=000092946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000092946

0 1
O 3.423526 -1.679534 -0.942285
O 0.712019 1.374552 1.329525
O 2.691731 -3.094657 0.751405
O -4.877845 0.852236 0.400330
N 1.560395 0.158052 -0.468074
N 0.761077 3.675273 -0.215453
C 1.300559 -1.153144 0.124483
C 0.090238 -1.907367 -0.551847
C -1.228514 -1.188182 -0.341142
C 1.737004 2.622384 -0.527114
C 1.272953 1.338944 0.192408
C 2.519184 -2.068913 0.063110
C -2.015588 -1.449670 0.811383
C -1.691757 -0.217543 -1.261977
C 3.195471 2.946297 -0.074252
C -3.224527 -0.767994 1.043972
C -2.899949 0.478946 -1.044587
C -3.663594 0.202122 0.113688
H 1.048083 -0.984335 1.186888
H 0.314941 -2.013838 -1.630439
H 0.055581 -2.922761 -0.115337
H 2.057609 0.187351 -1.360347
H 1.748980 2.433707 -1.621629
H -1.676891 -2.196698 1.539840
H -1.103536 0.002266 -2.160614
H 3.904047 2.142917 -0.353029
H 3.228299 3.080429 1.021700
H 3.537195 3.882779 -0.552995
H -3.833472 -0.965143 1.930961
H -3.237253 1.233864 -1.766699
H 1.105904 4.628646 -0.353443
H 0.316208 3.526761 0.698511
H 4.176263 -2.329369 -0.979126
H -5.079740 1.536025 -0.285517


