%chk=000051636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051636

0 1
 O  -0.9204000      -2.273600      0.1381000    
 O    4.615800      0.7920000     -5.4299999E-02
 N   -4.199900      0.3534000     -0.1863000    
 C   -1.830500     -3.8199998E-02  0.2402000    
 C   -1.463200       1.244300     -0.5047000    
 C  -0.1675000       1.828800      4.4799998E-02
 C   -3.142800     -0.6053000     -0.2968000    
 C  -0.7081000      -1.064300      0.1241000    
 C   0.9457000      0.8177000      1.6899999E-02
 C   0.6901000     -0.5612000      5.9900001E-02
 C    2.276000       1.261100     -1.0500000E-02
 C    1.749600      -1.477300      4.6700001E-02
 C    3.329900      0.3471000     -2.0900000E-02
 C    3.066400      -1.019900      4.6000001E-03
 C   -4.426900      0.7510000       1.214400    
 C   -5.458900     -0.1594000     -0.7551000    
 C    5.644800     -0.1963000     -6.1299998E-02
 H   -1.903200      0.1589000       1.317400    
 H   -2.242700       2.008600     -0.4146000    
 H   -1.341800       1.034000      -1.576200    
 H  -0.3128000       2.165300       1.078500    
 H   0.1049000       2.704600     -0.5562000    
 H   -3.392600      -1.533200      0.2362000    
 H   -2.998300     -0.8906000      -1.348000    
 H    2.492700       2.327000     -2.6699999E-02
 H    1.569700      -2.548700      7.4000001E-02
 H    3.836600      -1.783700     -2.0000001E-03
 H   -3.609700       1.362200       1.608500    
 H   -4.579200     -0.1142000       1.869900    
 H   -5.317000       1.387900       1.288000    
 H   -5.320200     -0.4266000      -1.808500    
 H   -6.236400      0.6119000     -0.7265000    
 H   -5.821800      -1.042700     -0.2174000    
 H    5.598700     -0.8189000     -0.9613000    
 H    5.636300     -0.7928000      0.8573000    
 H    6.602300      0.3344000     -8.8600002E-02


%chk=000051636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051636

0 1
O -0.968535 -2.304707 0.265274
O 4.688173 0.799142 -0.140189
N -4.300078 0.361893 -0.064259
C -1.823730 -0.004847 0.252934
C -1.431146 1.258965 -0.548063
C -0.115697 1.856977 -0.011046
C -3.178424 -0.602207 -0.193067
C -0.707613 -1.062335 0.203597
C 1.004689 0.826635 0.003493
C 0.697714 -0.568768 0.104678
C 2.351259 1.226850 -0.078464
C 1.755984 -1.514598 0.124204
C 3.396480 0.270657 -0.053039
C 3.100733 -1.116148 0.049123
C -4.676428 0.624476 1.339409
C -5.469666 -0.045844 -0.870017
C 5.817124 -0.139201 -0.128740
H -1.895747 0.293602 1.324563
H -2.258934 1.986675 -0.483806
H -1.313937 0.991814 -1.617708
H -0.284276 2.222988 1.024663
H 0.190118 2.738054 -0.605180
H -3.364065 -1.544992 0.374158
H -3.097147 -0.886599 -1.259815
H 2.619350 2.284932 -0.167910
H 1.488199 -2.573720 0.202769
H 3.895379 -1.867397 0.068249
H -3.824221 1.050857 1.897474
H -5.016639 -0.294802 1.881603
H -5.496626 1.364095 1.369170
H -5.174500 -0.150507 -1.929201
H -6.252747 0.731599 -0.808372
H -5.921037 -1.015844 -0.539529
H 5.770183 -0.831795 -0.990435
H 5.848339 -0.715962 0.815127
H 6.713071 0.493363 -0.208050


