%chk=000100784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100784

0 1
 O   -4.564200      0.8229000     -3.8899999E-02
 O    4.564200      0.8227000      3.9400000E-02
 N   -2.834100     -0.6282000      0.5319000    
 N    2.834200     -0.6279000     -0.5323000    
 C   9.9999997E-05  0.2149000       0.000000    
 C   -1.067300       1.080600      0.6770000    
 C    1.067600       1.081000     -0.6762000    
 C   -2.115400      0.2512000       1.411700    
 C    2.115500      0.2522000      -1.411800    
 C   -4.004500     -0.2671000     -0.1232000    
 C    4.004400     -0.2673000      0.1231000    
 C   -4.536400      -1.367100      -1.002300    
 C    4.536100      -1.367800       1.001600    
 H  -0.4640000     -0.4348000     -0.7513000    
 H   0.4640000     -0.4355000      0.7509000    
 H   -1.557100       1.708100     -7.7900000E-02
 H  -0.5877000       1.756500       1.395200    
 H    1.557600       1.707800      7.9200000E-02
 H   0.5881000       1.757700      -1.393800    
 H   -2.827700      0.9183000       1.909400    
 H   -1.642700     -0.3693000       2.180400    
 H    2.827900      0.9195000      -1.909100    
 H    1.642700     -0.3678000      -2.180800    
 H   -2.452400      -1.557200      0.3788000    
 H    2.452300      -1.556900     -0.3798000    
 H   -5.559900      -1.132400      -1.307200    
 H   -3.906700      -1.458200      -1.891500    
 H   -4.542300      -2.317500     -0.4608000    
 H    5.559600      -1.133300       1.306800    
 H    3.906200      -1.459300       1.890600    
 H    4.542000      -2.317800      0.4597000    


%chk=000100784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100784

0 1
O -4.688324 0.868030 0.091708
O 4.688461 0.867820 -0.091359
N -2.979041 -0.672020 0.437593
N 2.979025 -0.671886 -0.438033
C 0.000017 0.164959 0.000159
C -1.112418 1.022879 0.642737
C 1.112470 1.023243 -0.641903
C -2.217626 0.202175 1.348959
C 2.217568 0.202938 -1.348758
C -4.174883 -0.268650 -0.141231
C 4.174997 -0.268996 0.140857
C -4.834851 -1.287302 -1.069607
C 4.834862 -1.288178 1.068723
H -0.445191 -0.495649 -0.774355
H 0.445209 -0.496141 0.774260
H -1.586514 1.663575 -0.125610
H -0.661314 1.705262 1.391569
H 1.586657 1.663388 0.126847
H 0.661359 1.706166 -1.390241
H -2.948489 0.890578 1.808132
H -1.776252 -0.423253 2.149291
H 2.948427 0.891591 -1.807565
H 1.776077 -0.421947 -2.149450
H -2.601282 -1.590204 0.202964
H 2.601221 -1.590186 -0.203925
H -5.847581 -1.511862 -0.692991
H -4.952194 -0.839095 -2.071296
H -4.271890 -2.232633 -1.164440
H 5.847813 -1.512132 0.692356
H 4.951649 -0.840721 2.070817
H 4.272138 -2.233747 1.162593


