%chk=000054944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054944

0 1
 O  -0.2101000      0.2982000      -2.005700    
 O   -2.386500      -2.274100     -0.3602000    
 O   -1.618000       2.459000     -0.5572000    
 N    3.957600     -0.4000000      8.2999999E-03
 N   0.2373000     -0.8869000     -6.1600000E-02
 C    2.530800     -9.3400002E-02  0.1813000    
 C    2.403700      6.7699999E-02   1.697600    
 C    3.795100      0.4654000       2.178200    
 C    4.652600      0.5079000      0.9242000    
 C    1.608800      -1.183200     -0.3505000    
 C    4.421800     -0.2334000      -1.363600    
 C    5.905000     -0.5156000      -1.485700    
 C  -0.5762000     -0.1582000     -0.9258000    
 C   -1.968400      8.6800002E-02 -0.4688000    
 C   -2.815300     -0.9895000     -0.2042000    
 C   -2.428600       1.393200     -0.3038000    
 C   -4.122200     -0.7594000      0.2255000    
 C   -3.735500       1.623200      0.1259000    
 C   -4.582400      0.5469000      0.3906000    
 C   -2.411200      -3.109400      0.7951000    
 C   -1.362000       3.350000      0.5264000    
 C   -1.313700      -4.145500      0.6780000    
 C   1.7200001E-02   3.950200      0.3559000    
 H    2.284700      0.8695000     -0.2897000    
 H    1.664000      0.8341000       1.954400    
 H    2.103200     -0.8641000       2.192300    
 H    4.172100     -0.2860000       2.881900    
 H    3.785900       1.431900       2.692300    
 H    5.673100      0.1842000       1.151700    
 H    4.685500       1.534100      0.5355000    
 H    1.835000      -2.151500      0.1105000    
 H    1.721800      -1.298500      -1.433600    
 H    3.896600     -0.9388000      -2.017100    
 H    4.210700      0.7744000      -1.743200    
 H  -0.1428000      -1.204200      0.8255000    
 H    6.193000     -0.5330000      -2.542600    
 H    6.165000      -1.490200      -1.058400    
 H    6.516300      0.2521000      -1.000900    
 H   -4.796900      -1.586900      0.4267000    
 H   -4.111500       2.635100      0.2505000    
 H   -5.601200      0.7261000      0.7212000    
 H   -2.257500      -2.522900       1.709500    
 H   -3.385700      -3.606200      0.8536000    
 H   -2.117000       4.143500      0.5198000    
 H   -1.408900       2.824500       1.488500    
 H   -1.436700      -4.735500     -0.2363000    
 H  -0.3305000      -3.669800      0.6186000    
 H   -1.323400      -4.821800       1.537400    
 H   0.2423000       4.650100       1.165400    
 H   9.2699997E-02   4.478900     -0.6000000    
 H   0.7801000       3.164400      0.3459000    


%chk=000054944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054944

0 1
O 0.104482 -0.946354 -1.296406
O -2.262961 -2.630952 -0.004671
O -1.080624 1.961336 0.415650
N 4.168655 0.012089 0.013738
N 0.555605 -0.658965 0.967568
C 2.790331 0.396262 0.454120
C 3.002049 1.378506 1.645949
C 4.499364 1.216935 2.023629
C 5.152312 0.913586 0.660039
C 2.000981 -0.890262 0.823465
C 4.319695 -0.188763 -1.442526
C 5.610793 -0.945164 -1.806548
C -0.290771 -0.665622 -0.123818
C -1.736703 -0.319419 0.188223
C -2.738007 -1.326447 0.165477
C -2.132438 1.028060 0.391475
C -4.109009 -0.996519 0.327199
C -3.498474 1.375696 0.554527
C -4.468922 0.353655 0.514638
C -3.249722 -3.720944 -0.140618
C -1.426706 3.393349 0.506051
C -2.454099 -4.999922 -0.386106
C -0.112964 4.167979 0.442606
H 2.230226 0.900198 -0.364359
H 2.804503 2.416778 1.320572
H 2.321994 1.164794 2.490912
H 4.640896 0.355892 2.702102
H 4.921321 2.114352 2.508493
H 6.137972 0.424100 0.758935
H 5.299312 1.862953 0.081250
H 2.400990 -1.316949 1.761152
H 2.141591 -1.632181 0.018995
H 3.445116 -0.765868 -1.796796
H 4.296146 0.790976 -1.988555
H 0.177345 -0.359743 1.867122
H 5.658235 -1.124099 -2.896507
H 5.640176 -1.919399 -1.287157
H 6.513016 -0.374529 -1.519711
H -4.881762 -1.768888 0.310095
H -3.806148 2.413220 0.705465
H -5.526127 0.614421 0.636496
H -3.853315 -3.791825 0.788190
H -3.928131 -3.497420 -0.989176
H -2.095311 3.663612 -0.336500
H -1.961527 3.586253 1.459149
H -1.844678 -4.904095 -1.300266
H -1.777097 -5.206092 0.460327
H -3.140760 -5.857935 -0.505276
H -0.308938 5.253432 0.513379
H 0.410531 3.966443 -0.507411
H 0.551256 3.876880 1.274717


