%chk=000127850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127850

0 1
 O  -0.8629000     -0.8249000      0.3681000    
 O   0.6829000      -1.261300       2.028500    
 O    2.958800       3.341700      0.2943000    
 O    5.583400       2.511800     -7.3899999E-02
 O   -5.050500       2.589400     -0.4443000    
 O   -6.761000      0.5400000      -1.219400    
 N    1.773800      -2.666400     -0.2343000    
 C    1.338400      -1.265000     -0.2879000    
 C    2.469900     -0.2606000     -0.2042000    
 C    4.115200      -2.119200     -0.6849000    
 C    3.798700     -0.6685000     -0.4278000    
 C    2.889100      -2.904600      -1.147100    
 C    2.205000       1.099900      1.9800000E-02
 C    4.837700      0.2705000     -0.3673000    
 C   0.3763000      -1.123700      0.8520000    
 C    3.244700       2.029300      6.6000000E-02
 C    4.560100       1.614200     -0.1218000    
 C   -1.885700     -0.6618000       1.355700    
 C   -3.181100     -0.3387000      0.6707000    
 C   -3.519300      0.9878000      0.4282000    
 C   -4.031500      -1.369000      0.2855000    
 C   -4.723900       1.288100     -0.2078000    
 C   -5.236000      -1.068800     -0.3505000    
 C   -5.582200      0.2598000     -0.5972000    
 H   0.8187000      -1.095300      -1.240500    
 H    4.895600      -2.201100      -1.450800    
 H    4.508500      -2.555000      0.2423000    
 H    2.609800      -2.628800      -2.172000    
 H    3.129600      -3.973300      -1.156700    
 H   0.9933000      -3.272200     -0.4886000    
 H    1.179000       1.434500      0.1565000    
 H    5.866800     -4.8099998E-02 -0.5175000    
 H   -1.609100      0.1457000       2.045100    
 H   -1.986000      -1.584700       1.940700    
 H    1.997500       3.443600      0.4011000    
 H    5.209900       3.392600      0.1038000    
 H   -2.847200       1.787100      0.7306000    
 H   -3.770600      -2.407200      0.4710000    
 H   -5.900000      -1.874400     -0.6519000    
 H   -4.339400       3.161100     -0.1074000    
 H   -6.837700       1.505900      -1.308700    


%chk=000127850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127850

0 1
O -0.889199 -2.528591 -0.656495
O 0.008352 -2.529179 1.503089
O -0.242231 2.480324 -1.461157
O 2.102141 3.571161 -0.668791
O -2.351288 1.915455 2.424665
O -3.536204 3.138172 0.340319
N 2.599016 -2.839409 0.165448
C 1.479255 -2.172028 -0.500115
C 1.683801 -0.641572 -0.554673
C 4.063139 -0.892107 0.355173
C 2.901551 -0.040891 -0.138570
C 3.940472 -2.333823 -0.171094
C 0.623287 0.173330 -1.031715
C 3.033046 1.370622 -0.199143
C 0.167423 -2.440577 0.269004
C 0.755966 1.567673 -1.046660
C 1.971440 2.178485 -0.637363
C -2.288403 -2.449533 -0.082313
C -2.690406 -1.000649 0.053182
C -2.356422 -0.284330 1.235314
C -3.317931 -0.316737 -1.017069
C -2.635291 1.087833 1.319708
C -3.600132 1.067564 -0.930532
C -3.259243 1.775977 0.239934
H 1.300890 -2.528651 -1.544325
H 5.024019 -0.445784 0.034927
H 4.061135 -0.924591 1.461965
H 4.150812 -2.345945 -1.269201
H 4.686562 -2.984841 0.318413
H 2.513359 -3.858807 0.193368
H -0.308428 -0.290395 -1.373813
H 3.967000 1.855164 0.104275
H -2.289770 -2.983130 0.883314
H -2.893129 -2.987578 -0.827721
H -1.137133 2.059080 -1.512790
H 1.246814 3.955355 -0.999938
H -1.849093 -0.807224 2.055315
H -3.581554 -0.862780 -1.929781
H -4.104726 1.601676 -1.741228
H -1.818165 1.452359 3.114331
H -3.212135 3.469325 1.220143


