%chk=000002055.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002055

0 1
 O    5.209500      0.1961000      -2.085600    
 O    6.492700      0.3174000      0.3770000    
 O   -1.586800      -1.788200     -1.4900000E-02
 N   -2.386500      0.4046000      4.8000000E-02
 N   0.4555000       2.525200      0.2571000    
 C    2.446900     -0.5930000      0.1746000    
 C    3.162200     -0.3478000     -0.9976000    
 C    1.029600     -0.9127000      0.1088000    
 C    3.091200     -0.5325000       1.410400    
 C   -3.790400      0.2155000     -1.7500000E-02
 C    4.521700     -4.2100001E-02 -0.9341000    
 C   6.0999999E-03 -2.0900000E-02  0.1267000    
 C    5.165800      1.8500000E-02  0.3018000    
 C    4.450600     -0.2269000       1.474000    
 C   -1.400000     -0.5755000      4.4799998E-02
 C   -4.621300       1.321800     -2.3000001E-03
 C   -4.295300      -1.070300     -9.5799997E-02
 C   -6.002300       1.136200     -6.7199998E-02
 C   -5.676200      -1.255900     -0.1608000    
 C   -6.529700     -0.1525000     -0.1466000    
 C   0.2567000       1.383200      0.1992000    
 H    2.668300     -0.3934000      -1.965900    
 H   0.8334000      -1.981000      4.6599999E-02
 H    2.547500     -0.7217000       2.332900    
 H    4.940000     -0.1829000       2.443300    
 H   -2.105100       1.379900      0.1025000    
 H   -4.220800       2.329700      5.9000000E-02
 H   -3.708300      -1.975700     -0.1124000    
 H   -6.666900       1.995100     -5.6200001E-02
 H   -6.088800      -2.258900     -0.2226000    
 H   -7.604900     -0.2972000     -0.1972000    
 H    6.134400      0.3912000      -1.854500    
 H    6.765600      0.3146000       1.310500    


%chk=000002055-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002055

0 1
O 5.320970 0.221981 -2.081072
O 6.606547 0.384066 0.282001
O -1.610845 -1.896784 -0.034712
N -2.409267 0.317493 0.037691
N 0.277491 2.527633 0.274374
C 2.494152 -0.598718 0.194708
C 3.231040 -0.348718 -0.991899
C 1.053340 -0.968174 0.113043
C 3.140140 -0.527069 1.454818
C -3.820494 0.132119 -0.027057
C 4.597598 -0.026282 -0.913878
C 0.003569 -0.088828 0.115674
C 5.235889 0.048419 0.353517
C 4.514369 -0.200175 1.533603
C -1.412208 -0.646533 0.031770
C -4.626132 1.303090 0.000182
C -4.432182 -1.147137 -0.115478
C -6.029350 1.198683 -0.059968
C -5.839743 -1.232463 -0.174442
C -6.645960 -0.071788 -0.147403
C 0.193385 1.334809 0.201589
H 2.759408 -0.397254 -1.977479
H 0.773129 -2.031264 0.047084
H 2.574831 -0.719513 2.371598
H 5.007883 -0.138424 2.511225
H -2.098025 1.293277 0.094695
H -4.153212 2.291386 0.068168
H -3.807936 -2.041814 -0.137277
H -6.639835 2.107791 -0.038553
H -6.308170 -2.220533 -0.242747
H -7.736897 -0.153699 -0.193882
H 6.258089 0.446119 -1.838036
H 7.022826 0.448201 1.174142


