%chk=000057775.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057775

0 1
 O    1.242700       1.343700     -0.2234000    
 O   -6.173000      -1.294300      -1.263100    
 N   -5.001900     -0.8194000      0.7055000    
 N    5.994800      -1.527200      9.3900003E-02
 C   -2.393600      0.6688000      0.5517000    
 C   -1.165000       1.207700     -0.1881000    
 C   -3.689400       1.082600     -0.1528000    
 C   0.1374000      0.8377000      0.5111000    
 C   -4.935000      0.6117000      0.5914000    
 C    2.414300      0.6359000     -0.1453000    
 C    2.708800     -8.0899999E-02   1.008500    
 C    3.294700      0.6431000      -1.220600    
 C    4.789800     -0.7988000      1.3200000E-02
 C    3.900900     -0.8009000       1.088100    
 C    4.486700     -7.6899998E-02  -1.141200    
 C   -5.612100      -1.632800     -0.2289000    
 H   -2.327200     -0.4238000      0.6101000    
 H   -2.397300       1.050100       1.580000    
 H   -1.226200       2.299600     -0.2781000    
 H   -1.146200      0.8237000      -1.215900    
 H   -3.693100      0.6768000      -1.172000    
 H   -3.725000       2.175100     -0.2412000    
 H   0.1690000     -0.2574000      0.5849000    
 H   0.1526000       1.267300       1.519700    
 H   -4.952700       1.022300       1.606500    
 H   -5.829500      0.9680000      6.8499997E-02
 H   -4.572800      -1.255200       1.516600    
 H    2.058500     -8.5000001E-02   1.877800    
 H    3.062100       1.204000      -2.121300    
 H    4.129100      -1.354600       1.995400    
 H    5.171200     -6.7500003E-02  -1.985600    
 H   -5.536100      -2.690900      7.1400002E-02
 H    6.640300      -1.525600     -0.6846000    
 H    6.215100      -2.050200      0.9309000    


%chk=000057775-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057775

0 1
O 1.177554 0.643257 -0.708542
O -7.093811 -0.609486 -0.738451
N -5.355900 -0.605259 0.835999
N 6.518564 -0.876402 0.427526
C -2.452385 0.499619 0.443651
C -1.208274 0.835484 -0.410072
C -3.751549 1.078840 -0.159592
C 0.078927 0.260399 0.186834
C -5.013474 0.823676 0.697401
C 2.479549 0.222375 -0.352541
C 2.799536 -0.538246 0.797158
C 3.513969 0.611440 -1.237375
C 5.187570 -0.517342 0.174055
C 4.140730 -0.902266 1.054382
C 4.847430 0.248886 -0.980409
C -6.363720 -1.203943 0.102865
H -2.544018 -0.603185 0.536341
H -2.315728 0.897297 1.472173
H -1.098766 1.933089 -0.502791
H -1.334875 0.438484 -1.435376
H -3.916604 0.661793 -1.171677
H -3.639486 2.175494 -0.280502
H 0.020195 -0.847516 0.260926
H 0.260572 0.669989 1.204433
H -4.879735 1.256426 1.708311
H -5.886958 1.308372 0.228010
H -4.815875 -1.184312 1.481618
H 2.023530 -0.854989 1.500905
H 3.252710 1.199360 -2.123067
H 4.373793 -1.492035 1.949682
H 5.635025 0.560106 -1.677776
H -6.470887 -2.288139 0.340082
H 7.260790 -0.600932 -0.207473
H 6.763501 -1.423633 1.246392


