%chk=000056319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056319

0 1
 O    1.027800       2.060300     -0.8151000    
 O    1.122500      -3.004100      6.2100001E-02
 N   6.6799998E-02 -0.8978000     -0.2796000    
 N    2.596800      0.8775000      0.4093000    
 C    1.051800     -0.3116000      -1.156500    
 C    1.539300      0.9797000     -0.5011000    
 C   0.4501000     -3.1500001E-02  -2.525900    
 C   -1.144000     -0.1272000     -5.9000002E-03
 C   0.2032000      -2.214400      0.2540000    
 C   -1.152400      0.6619000       1.105700    
 C   -2.182100     -0.2493000     -0.8810000    
 C    3.129300       2.089000       1.022500    
 C    3.214800     -0.3647000      0.8681000    
 C  -0.8775000      -2.663300       1.191500    
 C   -2.308100       1.398000       1.367100    
 C   -3.337700      0.4870000     -0.6196000    
 C   -3.400500       1.310600      0.5045000    
 H    1.876900      -1.009800      -1.307700    
 H    1.237800      0.3019000      -3.212300    
 H   4.3000001E-03 -0.9352000      -2.955900    
 H  -0.3048000      0.7612000      -2.527100    
 H  -0.3077000      0.7257000       1.783500    
 H   -2.148100     -0.9029000      -1.745700    
 H    3.001800       2.018000       2.106800    
 H    2.620700       2.988000      0.6659000    
 H    4.193500       2.167800      0.7810000    
 H    4.171400     -0.1561000       1.356700    
 H    3.400200      -1.040700      3.2600001E-02
 H    2.539300     -0.8408000       1.583600    
 H   -1.848400      -2.678600      0.6904000    
 H  -0.9130000      -2.021700       2.075400    
 H  -0.6680000      -3.683400       1.530800    
 H   -2.357700       2.037500       2.243500    
 H   -4.190200      0.4153000      -1.288600    
 H   -4.300800       1.882700      0.7088000    


%chk=000056319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056319

0 1
O 1.390689 2.147031 -1.063026
O 1.281322 -2.884434 -0.187457
N 0.072890 -0.892455 -0.292942
N 2.580484 0.876986 0.480244
C 1.099335 -0.287734 -1.208040
C 1.702825 1.006073 -0.592877
C 0.516057 0.009159 -2.600778
C -1.126152 -0.133201 0.008619
C 0.242677 -2.217580 0.129305
C -1.098301 0.865151 1.011621
C -2.323224 -0.382113 -0.706111
C 3.139757 2.101475 1.082411
C 3.057989 -0.383381 1.073266
C -0.854684 -2.820526 0.998301
C -2.265591 1.604739 1.302732
C -3.490601 0.354674 -0.407754
C -3.464622 1.348909 0.598021
H 1.873796 -1.069815 -1.302128
H 1.316501 0.368045 -3.270105
H 0.082561 -0.911660 -3.029580
H -0.249961 0.799330 -2.554052
H -0.165028 1.058247 1.550888
H -2.330403 -1.143915 -1.493707
H 2.905689 2.142293 2.163981
H 2.701038 2.972733 0.573485
H 4.240188 2.124384 0.962275
H 4.165389 -0.405641 1.060087
H 2.688990 -1.268309 0.535953
H 2.729869 -0.463440 2.129080
H -1.748328 -3.062384 0.395597
H -1.177151 -2.133579 1.799187
H -0.464791 -3.751346 1.435916
H -2.238252 2.379902 2.076239
H -4.414371 0.158276 -0.962932
H -4.369283 1.923105 0.826081


