%chk=000028847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028847

0 1
 O  -0.4962000      0.3766000     -0.8248000    
 O   -2.993600      0.1014000       1.656200    
 O  -0.9440000      -1.737100       1.315900    
 O   -1.290000       1.908800      0.6952000    
 N    3.525200     -0.2742000      0.8100000    
 C    2.378700     -0.4098000     -0.1391000    
 C    2.967700     -0.9473000      -1.443000    
 C    4.752600     -0.4351000      1.6700000E-02
 C    4.347800      -1.437400      -1.045500    
 C    1.747900      0.9454000     -0.2203000    
 C    3.414000       1.076500       1.402800    
 C    2.333100       1.775500      0.6476000    
 C   0.6040000       1.243100      -1.119400    
 C   -2.509900     -0.1749000      0.3315000    
 C   -3.707100      7.9000004E-02 -0.6332000    
 C   -1.966100      -1.626400      0.3178000    
 C   -1.377500      0.8355000      0.1100000    
 C   -3.370100     -3.9400000E-02  -2.122300    
 C   -4.397000       1.429300     -0.3764000    
 C   -3.019700      -2.689400      0.6204000    
 H    1.668600      -1.131200      0.2817000    
 H    3.062000     -0.1619000      -2.202800    
 H    2.363000      -1.756300      -1.865300    
 H    5.580000     -0.8011000      0.6317000    
 H    5.062400      0.5001000     -0.4680000    
 H    4.288200      -2.448400     -0.6243000    
 H    5.040500      -1.456000      -1.891800    
 H    4.352600       1.640100       1.363100    
 H    3.123400      0.9844000       2.455000    
 H    2.051100       2.805500      0.8096000    
 H   0.8914000       1.056000      -2.159500    
 H   0.3039000       2.297100      -1.073700    
 H   -4.479700     -0.6687000     -0.4139000    
 H   -1.502200      -1.860500     -0.6468000    
 H   -4.276300      5.3500000E-02  -2.730900    
 H   -2.921900      -1.010800      -2.350800    
 H   -2.676100      0.7442000      -2.442500    
 H   -4.756700       1.513100      0.6538000    
 H   -5.269100       1.543700      -1.030200    
 H   -3.724100       2.269400     -0.5758000    
 H   -2.550600      -3.676200      0.7051000    
 H   -3.777800      -2.748500     -0.1649000    
 H   -3.514100      -2.499800       1.578900    
 H   -2.293400     -0.1417000       2.286100    
 H  -0.5645000      -2.630000       1.249800    


%chk=000028847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028847

0 1
O -0.759936 1.095914 -1.234884
O -2.663250 0.111100 1.779603
O -0.230397 -1.010957 1.408093
O -1.234904 2.237563 0.740695
N 2.294437 -0.571340 0.552964
C 2.019678 -0.052863 -0.848470
C 3.366705 -0.239907 -1.599920
C 3.369636 -1.617715 0.451239
C 3.867001 -1.597863 -1.034607
C 1.520141 1.359338 -0.579488
C 2.618657 0.643663 1.397481
C 1.900729 1.759994 0.663321
C 0.453950 1.987774 -1.428892
C -2.211041 -0.040746 0.399018
C -3.508574 -0.183610 -0.456885
C -1.236070 -1.277342 0.364011
C -1.391010 1.228298 0.027880
C -3.263451 -0.597591 -1.926601
C -4.360220 1.106273 -0.381009
C -1.941915 -2.599170 0.698857
H 1.244903 -0.677724 -1.331602
H 4.059819 0.581866 -1.339881
H 3.247676 -0.255593 -2.696990
H 2.965478 -2.606474 0.729951
H 4.189050 -1.381468 1.154943
H 3.412797 -2.432516 -1.599713
H 4.962783 -1.706539 -1.104977
H 3.715695 0.816734 1.476910
H 2.225068 0.510178 2.422050
H 1.632093 2.708120 1.134513
H 0.630034 1.937417 -2.514536
H 0.207734 3.014256 -1.111765
H -4.075776 -0.989343 0.049883
H -0.761310 -1.335652 -0.634270
H -4.235772 -0.708703 -2.441062
H -2.728697 -1.561218 -2.010869
H -2.673980 0.165436 -2.463579
H -4.495041 1.421871 0.666596
H -5.355340 0.932949 -0.830907
H -3.881257 1.935751 -0.935728
H -1.186495 -3.399184 0.790358
H -2.670766 -2.895109 -0.077739
H -2.470623 -2.507705 1.663118
H -1.834734 0.055706 2.333493
H 0.746899 -0.947766 1.053097


