%chk=000051903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051903

0 1
 O   -3.510000      0.5139000      0.3385000    
 O    4.166800     -0.4177000      0.2743000    
 O   -2.275900      -1.400400      0.5454000    
 N   -1.265700      0.6974000      0.2633000    
 C   -4.635400     -0.1918000     -0.1973000    
 C   0.1009000      0.4170000      0.2660000    
 C   -5.857500      0.7132000     -0.1604000    
 C   -4.312300     -0.6504000      -1.611200    
 C    2.833700     -0.1441000      0.2708000    
 C    1.025500       1.450800      0.1166000    
 C   0.5428000     -0.8972000      0.4178000    
 C    2.391900       1.170200      0.1190000    
 C    1.909200      -1.177800      0.4202000    
 C   -2.334200     -0.1858000      0.3974000    
 C    5.008600      0.4436000     -0.4908000    
 C    6.211600     -0.3408000     -0.9698000    
 H   -4.840800      -1.062200      0.4383000    
 H   -6.745700      0.2013000     -0.5429000    
 H   -6.057200       1.041900      0.8652000    
 H   -5.690500       1.619000     -0.7536000    
 H   -5.192200      -1.095800      -2.087100    
 H   -3.516100      -1.400000      -1.636600    
 H   -3.975300      0.1911000      -2.227000    
 H   0.6948000       2.480200      3.5000001E-03
 H  -0.1129000      -1.748600      0.5382000    
 H   -1.517400       1.676200      0.1479000    
 H    3.078200       2.006800      2.8000001E-02
 H    2.248800      -2.203300      0.5388000    
 H    4.495200      0.8328000      -1.379000    
 H    5.337000       1.278000      0.1386000    
 H    6.885800      0.2931000      -1.552600    
 H    6.764000     -0.7561000     -0.1205000    
 H    5.898300      -1.187400      -1.589700    


%chk=000051903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051903

0 1
O -3.500692 0.578815 -0.193091
O 4.282318 -0.581263 -0.116552
O -2.310168 -1.446170 0.069160
N -1.246493 0.653174 -0.232197
C -4.798704 -0.176385 -0.127399
C 0.138060 0.320796 -0.198613
C -5.827156 0.834165 0.385940
C -5.119962 -0.743582 -1.517870
C 2.928429 -0.205461 -0.154910
C 1.073783 1.372850 -0.353224
C 0.611389 -1.008573 -0.020090
C 2.462138 1.120552 -0.333312
C 1.994039 -1.259004 0.000337
C -2.328691 -0.199729 -0.104035
C 5.291821 0.480395 -0.281772
C 6.659530 -0.192562 -0.199402
H -4.654428 -1.004118 0.591905
H -6.814233 0.347516 0.485826
H -5.530389 1.229477 1.372369
H -5.926303 1.681096 -0.315932
H -6.085731 -1.281203 -1.493345
H -4.339090 -1.454175 -1.836907
H -5.193188 0.070481 -2.260960
H 0.720398 2.402818 -0.490942
H -0.104974 -1.823791 0.099403
H -1.490766 1.636487 -0.366661
H 3.156018 1.956844 -0.456389
H 2.372968 -2.276573 0.136784
H 5.147652 0.979471 -1.262935
H 5.168353 1.238343 0.520145
H 7.461413 0.559103 -0.316335
H 6.787590 -0.693535 0.775228
H 6.769070 -0.949157 -0.994924


