%chk=000029266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029266

1 1
 O   0.8474000      -1.130300      0.2817000    
 O    4.494100      0.7485000      0.4157000    
 N    4.502100     -0.6365000     -1.1000000E-02
 C  -0.2861000     -0.4544000     -0.2270000    
 C   -2.412600      0.7763000      -1.177300    
 C  -0.2668000     -0.4576000      -1.784400    
 C   -1.524400      0.2724000      -2.345800    
 C  -0.3701000       1.018600      0.1874000    
 C   -1.603600      -1.125800      0.1710000    
 C   -1.518800       1.676400     -0.3309000    
 C   -2.746800     -0.4573000     -0.3454000    
 C   0.5264000       1.710400      0.9918000    
 C   -1.754300      -2.261000      0.9570000    
 C   -1.761700       3.013800     -4.9300000E-02
 C   -4.026300     -0.9239000     -7.7399999E-02
 C    2.061700     -0.5320000     -0.1592000    
 C    3.240200      -1.288100      0.4218000    
 C   0.2798000       3.056900       1.271300    
 C   -3.043700      -2.728700       1.223200    
 C  -0.8530000       3.702700      0.7550000    
 C   -4.168900      -2.066600      0.7108000    
 C    4.668000     -0.6425000      -1.522200    
 C    5.717300      -1.271200      0.6432000    
 H   -3.307800       1.293900      -1.535400    
 H  -0.2214000      -1.483600      -2.172500    
 H   0.6000000      6.6100001E-02  -2.203300    
 H   -1.210700       1.112700      -2.978300    
 H   -2.088100     -0.4173000      -2.986600    
 H    1.343100       1.239600       1.526800    
 H  -0.8958000      -2.785000       1.363600    
 H   -2.638900       3.518600     -0.4403000    
 H   -4.901500     -0.4156000     -0.4681000    
 H    2.160000      0.5390000     -5.9999999E-02
 H    2.118000     -0.7336000      -1.231400    
 H    3.251700      -2.336600      0.1007000    
 H    3.202400      -1.269500       1.517600    
 H   0.9570000       3.604200       1.921900    
 H   -3.177600      -3.616300       1.836000    
 H   -1.028800       4.748500      0.9925000    
 H   -5.162200      -2.448000      0.9319000    
 H    3.916400     -4.4000000E-03  -1.993600    
 H    5.661800     -0.2477000      -1.755900    
 H    4.581800      -1.675200      -1.872400    
 H    5.592500      -1.210600       1.728200    
 H    5.775700      -2.313700      0.3180000    
 H    6.608000     -0.7167000      0.3337000    
 H    4.086400       1.211400     -0.3340000    


%chk=000029266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029266

1 1
O 0.816325 -1.426110 -0.092768
O 3.951083 0.978861 0.471720
N 4.367071 -0.407608 0.080925
C -0.336399 -0.589692 -0.507013
C -2.408493 0.886278 -1.110561
C -0.522777 -0.548213 -2.072801
C -1.766837 0.327162 -2.434105
C -0.216236 0.848513 0.003626
C -1.634634 -1.154727 0.062838
C -1.317947 1.660917 -0.375402
C -2.755773 -0.340463 -0.261024
C 0.787456 1.356820 0.856535
C -1.782823 -2.338762 0.805054
C -1.351118 3.015998 0.010088
C -4.041103 -0.722107 0.166173
C 2.054805 -1.124717 -0.801601
C 3.194983 -1.399805 0.202821
C 0.745786 2.719277 1.253032
C -3.079099 -2.712907 1.239225
C -0.303994 3.551921 0.801787
C -4.199488 -1.910372 0.922536
C 4.946333 -0.337364 -1.324542
C 5.449477 -0.728898 1.100499
H -3.290973 1.507754 -1.332830
H -0.650413 -1.587004 -2.424546
H 0.378452 -0.128163 -2.556097
H -1.476865 1.167939 -3.087864
H -2.519581 -0.274571 -2.970694
H 1.476519 0.656813 1.349630
H -0.910738 -2.955712 1.039128
H -2.198232 3.648868 -0.277064
H -4.912381 -0.104761 -0.079866
H 2.066924 -0.062732 -1.132112
H 2.153062 -1.757324 -1.704114
H 3.633932 -2.403868 0.076729
H 2.804158 -1.303516 1.229403
H 1.502106 3.117748 1.938481
H -3.214363 -3.628911 1.824024
H -0.334204 4.603003 1.106249
H -5.196213 -2.208008 1.264903
H 4.160850 -0.027718 -2.027321
H 5.752599 0.409365 -1.318637
H 5.337623 -1.330468 -1.598432
H 4.986392 -0.773261 2.095674
H 5.908643 -1.693875 0.835400
H 6.194092 0.078873 1.070237
H 2.973914 1.105828 0.221774


