%chk=000128613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128613

0 1
 O   2.3200000E-02  0.8414000     -0.3378000    
 O    2.511500       2.362800       1.874000    
 O    3.065700      -1.175600      0.8838000    
 N    3.391200     -0.2879000      2.9200001E-02
 C    4.347100     -0.6647000      -1.024600    
 C    1.910600       1.318800       1.122400    
 C   0.6208000       1.831100      0.4945000    
 C   -2.107000     -0.2580000     -4.0399998E-02
 C    2.900200      0.9271000      6.3000001E-02
 C   -1.339600      0.8520000     -0.4294000    
 C   -3.516500     -0.1992000     -0.1541000    
 C    3.713600      -1.800400      -1.804900    
 C    5.632600      -1.066400     -0.3273000    
 C   -1.952900       2.003400     -0.9240000    
 C   -1.506500      -1.424900      0.4597000    
 C   -4.116800      0.9679000     -0.6538000    
 C   -4.283800      -1.309300      0.2350000    
 C   -3.338900       2.061100      -1.035900    
 C   -2.284300      -2.518500      0.8414000    
 C   -3.670200      -2.460700      0.7291000    
 H    4.526300      0.1917000      -1.683200    
 H    1.688500      0.4912000       1.800500    
 H   0.8255000       2.719700     -0.1165000    
 H  -6.2199999E-02   2.145100       1.295800    
 H    3.216500       1.659300     -0.6947000    
 H    4.359900      -2.097200      -2.637800    
 H    3.546000      -2.689300      -1.186400    
 H    2.746100      -1.499500      -2.222000    
 H    6.016100     -0.2483000      0.2927000    
 H    6.403000      -1.317600      -1.064100    
 H    5.500400      -1.940000      0.3208000    
 H   -1.362800       2.860800      -1.236300    
 H  -0.4260000      -1.502700      0.5602000    
 H   -5.198400       1.035200     -0.7505000    
 H   -5.368800      -1.286500      0.1562000    
 H   -3.815800       2.956700      -1.423200    
 H   -1.807400      -3.415200       1.226500    
 H   -4.275200      -3.312400       1.026500    
 H    2.597100       3.143600       1.300400    


%chk=000128613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128613

0 1
O -0.129911 0.908254 0.468795
O 2.836811 3.008644 1.240829
O 3.929653 -0.384107 1.528141
N 3.564271 -0.102899 0.288095
C 4.155323 -1.008404 -0.795617
C 2.079769 1.746122 0.989416
C 0.646451 2.147479 0.603570
C -2.164117 -0.247811 -0.055280
C 2.717046 0.878757 -0.050282
C -1.479406 1.013885 0.096827
C -3.556803 -0.232239 -0.447551
C 3.620112 -2.435786 -0.572549
C 5.690132 -0.929691 -0.719290
C -2.143313 2.227141 -0.122285
C -1.507345 -1.499875 0.171162
C -4.217378 1.023306 -0.669086
C -4.238778 -1.484537 -0.602652
C -3.521104 2.220094 -0.506335
C -2.202324 -2.702535 0.011973
C -3.578252 -2.695161 -0.379156
H 3.796085 -0.612016 -1.763862
H 2.096016 1.226591 1.960886
H 0.636735 2.708535 -0.356554
H 0.223929 2.791708 1.398049
H 2.467707 0.983108 -1.109541
H 4.044843 -3.116001 -1.331390
H 3.915384 -2.789807 0.429646
H 2.518837 -2.469553 -0.649702
H 6.052704 0.096000 -0.909182
H 6.135116 -1.603591 -1.472182
H 6.027177 -1.239459 0.283943
H -1.629869 3.184827 -0.000049
H -0.457296 -1.491598 0.477531
H -5.272476 1.026764 -0.964674
H -5.294289 -1.474995 -0.899871
H -4.026440 3.177952 -0.671707
H -1.695408 -3.657169 0.190993
H -4.112597 -3.644109 -0.499890
H 3.181805 3.346775 0.373631


