%chk=000018491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018491

0 1
 O   -3.646500     -0.4842000       1.127600    
 O   -1.543800       1.078300       1.502400    
 N  -0.6454000      0.6728000     -0.5916000    
 N   0.4192000       1.492000     -0.3518000    
 C   -2.746800     -0.4179000      2.3399999E-02
 C   -2.249400      -1.843400     -0.3056000    
 C   -3.538300      0.1408000      -1.180500    
 C   -1.591000      0.5227000      0.4046000    
 C   -1.518100      -2.541500      0.8372000    
 C   -4.171600       1.506500     -0.9270000    
 C    1.691300      0.9366000     -0.1723000    
 C    1.922500     -0.4139000     -0.4612000    
 C    3.190300     -0.9670000     -0.2811000    
 C    2.747600       1.725400      0.2997000    
 C    4.236800     -0.1738000      0.1893000    
 C    4.015600       1.172400      0.4797000    
 C    3.427800      -2.405800     -0.5929000    
 H   -3.110800      -2.471500     -0.5677000    
 H   -1.591300      -1.827400      -1.182400    
 H   -4.354900     -0.5517000      -1.423400    
 H   -2.902300      0.2052000      -2.070900    
 H   -2.174500      -2.698700       1.698100    
 H   -1.167600      -3.525200      0.5075000    
 H  -0.6450000      -1.970200       1.165300    
 H   -4.737100       1.824100      -1.809200    
 H   -3.412600       2.268600     -0.7266000    
 H   -4.864300       1.476400     -8.0499999E-02
 H   -3.151600     -0.7757000       1.911200    
 H  -0.6979000      0.2616000      -1.516800    
 H   0.2358000       2.460500     -0.1239000    
 H    1.129500      -1.056200     -0.8369000    
 H    2.589400       2.776200      0.5303000    
 H    5.229800     -0.5916000      0.3320000    
 H    4.830500       1.790200      0.8455000    
 H    4.281800      -2.800400     -3.1800002E-02
 H    2.557900      -3.013700     -0.3213000    
 H    3.626400      -2.530900      -1.661900    


%chk=000018491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018491

0 1
O -3.630280 -0.580230 1.175986
O -1.435303 0.865283 1.518214
N -0.686714 0.690783 -0.674446
N 0.429882 1.520913 -0.473805
C -2.793000 -0.495615 -0.021741
C -2.310290 -1.928636 -0.399663
C -3.653558 0.122103 -1.162268
C -1.580166 0.405720 0.342085
C -1.494518 -2.623189 0.708136
C -4.138105 1.555772 -0.871764
C 1.699790 0.933059 -0.196013
C 1.961540 -0.437090 -0.440127
C 3.251256 -0.980095 -0.216083
C 2.738687 1.776629 0.279840
C 4.281176 -0.133125 0.263607
C 4.018074 1.235329 0.508348
C 3.520094 -2.447899 -0.504529
H -3.221031 -2.519970 -0.613475
H -1.727019 -1.885320 -1.342782
H -4.528561 -0.544332 -1.282217
H -3.094240 0.082792 -2.120512
H -2.088055 -2.676558 1.636669
H -1.230284 -3.653418 0.408751
H -0.555899 -2.083191 0.932491
H -4.805438 1.913980 -1.675841
H -3.296044 2.268633 -0.790870
H -4.698310 1.576382 0.078462
H -3.145669 -0.086508 1.900234
H -0.884797 0.424682 -1.640838
H 0.199313 2.365828 0.059009
H 1.154806 -1.089443 -0.792949
H 2.542305 2.838605 0.471086
H 5.280865 -0.542258 0.448245
H 4.816013 1.884987 0.885426
H 4.407476 -2.809891 0.042909
H 2.660876 -3.081612 -0.219460
H 3.706527 -2.613499 -1.583616


