%chk=000042863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042863

0 1
 O   -2.974900     -0.3957000     -0.2616000    
 O   -2.696300      -1.625000       1.677400    
 N   -5.665300       2.120600     -8.4100001E-02
 C   -1.315100      -2.054800     -0.1889000    
 C   -1.414200      -3.547900     -0.2788000    
 C   -1.662500      -2.704200      -1.494700    
 C   3.9400000E-02  -1.449700     -4.6200000E-02
 C   -2.399500      -1.346300      0.5245000    
 C    3.949600      0.3004000      0.3681000    
 C    3.874200       1.815700      0.6249000    
 C    4.847100     -9.1000004E-03 -0.8430000    
 C    2.570500     -0.3166000      0.2223000    
 C   0.4725000     -0.4864000     -0.9573000    
 C   0.8736000      -1.845600      0.9993000    
 C    5.266400       2.425600      0.7801000    
 C    6.235200      0.6086000     -0.6815000    
 C    6.156600       2.109500     -0.4181000    
 C    1.739700      8.0799997E-02 -0.8230000    
 C    2.140800      -1.278300       1.133800    
 C   -4.038400      0.3432000      0.3475000    
 C   -4.567200       1.355400     -0.6560000    
 C   -6.203000       3.067200      -1.064300    
 C   -5.229200       2.832600       1.119600    
 H   -2.268600      -4.044900      0.1668000    
 H  -0.5126000      -4.149800     -0.2711000    
 H  -0.9240000      -2.750400      -2.287000    
 H   -2.682000      -2.647200      -1.859500    
 H    4.431600     -0.1503000       1.247700    
 H    3.288300       2.014900       1.530900    
 H    3.357900       2.325200     -0.1983000    
 H    4.398400      0.3736000      -1.768300    
 H    4.945900      -1.094300     -0.9701000    
 H  -0.1683000     -0.1643000      -1.774000    
 H   0.5477000      -2.591300       1.719900    
 H    5.733900       2.039900       1.694500    
 H    5.181100       3.511700      0.8994000    
 H    6.827600      0.4236000      -1.584800    
 H    6.758200      0.1187000      0.1490000    
 H    5.763100       2.615600      -1.308200    
 H    7.163100       2.506100     -0.2440000    
 H    2.055900      0.8298000      -1.543300    
 H    2.778200      -1.596400       1.954100    
 H   -4.832600     -0.3505000      0.6493000    
 H   -3.619800      0.8272000       1.235500    
 H   -3.746800       2.003600     -0.9930000    
 H   -4.906400      0.8118000      -1.547400    
 H   -6.557600       2.537600      -1.955600    
 H   -5.457200       3.807400      -1.376000    
 H   -7.068000       3.599300     -0.6526000    
 H   -5.074100       2.152500       1.962600    
 H   -4.318200       3.419000      0.9527000    
 H   -6.011200       3.524000       1.457300    


%chk=000042863-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042863

0 1
O -2.611377 -0.528417 -0.168236
O -3.850941 -2.482582 -0.427994
N -4.664652 2.581132 0.206847
C -1.405497 -2.605138 -0.352818
C -1.444439 -4.038909 0.243685
C -1.387966 -3.864435 -1.264180
C -0.150771 -1.779807 -0.213432
C -2.737846 -1.906228 -0.324352
C 3.475438 0.674213 0.190014
C 3.255048 2.133810 -0.306014
C 4.696210 0.040742 -0.540538
C 2.215852 -0.177139 0.047753
C 0.470690 -1.209929 -1.352477
C 0.425782 -1.540544 1.056641
C 4.531380 2.993103 -0.144840
C 5.971592 0.901102 -0.378531
C 5.740547 2.351307 -0.865857
C 1.632677 -0.422610 -1.224398
C 1.590469 -0.751971 1.182994
C -3.885678 0.247258 -0.141487
C -3.488581 1.680888 0.230511
C -4.286352 3.998698 0.035594
C -5.568534 2.391385 1.361063
H -2.394346 -4.361699 0.677779
H -0.540117 -4.370467 0.761330
H -0.444584 -4.074653 -1.775764
H -2.300171 -4.071246 -1.830004
H 3.730810 0.728929 1.270286
H 2.409703 2.588544 0.245772
H 2.961564 2.112227 -1.375673
H 4.458987 -0.062700 -1.619481
H 4.868031 -0.982614 -0.154373
H 0.035325 -1.387550 -2.343356
H -0.042535 -1.973953 1.948576
H 4.766782 3.099273 0.934813
H 4.350057 4.014297 -0.533325
H 6.811715 0.438425 -0.932319
H 6.266052 0.920128 0.691657
H 5.550559 2.342365 -1.959419
H 6.651207 2.960142 -0.703412
H 2.091709 0.005355 -2.124035
H 2.022859 -0.577744 2.176464
H -4.355392 0.211900 -1.139678
H -4.570059 -0.223409 0.586120
H -2.968001 1.675719 1.220737
H -2.757474 2.038198 -0.516933
H -3.687363 4.117010 -0.884469
H -3.693287 4.409779 0.892032
H -5.198046 4.613884 -0.070613
H -5.927681 1.349135 1.406186
H -5.083206 2.633623 2.341251
H -6.452647 3.043275 1.246407


