%chk=000056140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056140

0 1
 O    3.036700      -1.594000     -0.9911000    
 O    2.518000      -1.134600       1.161700    
 N    1.016300       1.103000      0.2974000    
 N   -3.032200     -0.3141000     -0.3819000    
 C   -1.297400      0.7540000       1.027600    
 C  -0.1344000      0.2123000      0.1946000    
 C   -2.536000     -0.1433000      0.9783000    
 C    2.136100      0.5957000     -0.4824000    
 C    3.306400       1.566400     -0.4319000    
 C   -3.418500      0.9762000     -0.9557000    
 C   -4.166300      -1.239500     -0.4048000    
 C    2.571200     -0.7821000     -1.1900000E-02
 H  -0.9765000      0.8165000       2.076700    
 H   -1.538600       1.783600      0.7383000    
 H  -0.4349000      0.1277000     -0.8562000    
 H   9.1799997E-02 -0.7960000      0.5566000    
 H   -3.309600      0.2775000       1.634100    
 H   -2.264700      -1.121400       1.396300    
 H    1.819000      0.5025000      -1.529700    
 H   0.7601000       2.034600     -2.8600000E-02
 H    4.147000       1.192500      -1.027100    
 H    3.025600       2.548600     -0.8272000    
 H    3.669500       1.701400      0.5935000    
 H   -2.552000       1.615400      -1.149800    
 H   -4.128400       1.519300     -0.3213000    
 H   -3.890600      0.8303000      -1.934900    
 H   -4.505100      -1.408700      -1.433000    
 H   -5.014600     -0.8689000      0.1822000    
 H   -3.872900      -2.217900     -8.2000000E-03
 H    3.310500      -2.469200     -0.6426000    


%chk=000056140-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056140

0 1
O 3.743580 -1.355495 -0.850631
O 2.457287 -1.462321 1.077590
N 1.055009 0.915585 0.281355
N -3.195360 -0.196410 -0.370685
C -1.298733 0.743626 1.035149
C -0.194930 0.132491 0.153200
C -2.618024 -0.054195 0.990290
C 2.199544 0.465905 -0.512904
C 3.312451 1.544559 -0.513150
C -3.637349 1.086718 -0.951821
C -4.270270 -1.208980 -0.402571
C 2.766048 -0.854025 0.034244
H -0.940312 0.769562 2.081871
H -1.476845 1.798905 0.739980
H -0.558566 0.060768 -0.899235
H 0.009204 -0.898192 0.498758
H -3.352379 0.421011 1.694507
H -2.423908 -1.075471 1.372535
H 1.935655 0.245455 -1.579248
H 0.899214 1.925773 0.176046
H 4.191760 1.198656 -1.078888
H 2.935042 2.470679 -0.985134
H 3.613902 1.777418 0.522988
H -2.785522 1.782298 -1.044351
H -4.432951 1.593652 -0.345771
H -4.039625 0.911635 -1.965697
H -4.625199 -1.343824 -1.440296
H -5.155077 -0.940259 0.231178
H -3.878545 -2.178459 -0.046201
H 4.100400 -2.209266 -0.484108


