%chk=000100378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100378

0 1
 O   0.9344000     -0.8333000     -2.1299999E-02
 O    1.818500       3.131900     -6.0899999E-02
 N    3.184800      -1.391000     -4.9899999E-02
 C  -9.2600003E-02  8.3899997E-02 -1.2400000E-02
 C   -1.417100     -0.4119000      1.0600000E-02
 C   0.1503000       1.458100     -2.5400000E-02
 C   -2.489800      0.5140000      1.9900000E-02
 C    2.251000     -0.3937000     -4.2800002E-02
 C  -0.9079000       2.364300     -1.6000001E-02
 C   -2.219000       1.891500      6.5000001E-03
 C    1.538300       1.941100     -4.8700001E-02
 C   -1.723700      -1.789900      2.5300000E-02
 C    2.586500      0.9059000     -5.6200001E-02
 C   -3.814000      4.5600001E-02  4.3000001E-02
 C   -3.045400      -2.237800      4.8599999E-02
 C   -4.089300      -1.320800      5.7200000E-02
 C    4.498000      -1.204200      0.5515000    
 C    2.837000      -2.753600     -0.4291000    
 H  -0.7348000       3.436800     -2.5800001E-02
 H   -3.032900       2.614000      1.3600000E-02
 H    3.613100       1.253200     -8.2199998E-02
 H  -0.9312000      -2.535500      1.8900000E-02
 H   -4.647500      0.7454000      5.0500002E-02
 H   -3.256900      -3.303100      5.9700001E-02
 H   -5.118400      -1.667300      7.5099997E-02
 H    5.147200     -0.6296000     -0.1177000    
 H    4.993500      -2.161900      0.7472000    
 H    4.424800     -0.6825000       1.512700    
 H    2.406000      -3.288000      0.4241000    
 H    3.719400      -3.305400     -0.7717000    
 H    2.116200      -2.768600      -1.254600    


%chk=000100378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100378

0 1
O 0.938642 -0.843934 0.023295
O 1.842660 3.235406 0.179682
N 3.164305 -1.455760 0.062948
C -0.103292 0.113534 0.018082
C -1.435057 -0.417556 -0.040378
C 0.168672 1.485860 0.065717
C -2.526513 0.534008 -0.049144
C 2.269541 -0.407678 0.079363
C -0.931721 2.403954 0.055828
C -2.241671 1.944109 -0.000104
C 1.578023 1.983524 0.130356
C -1.719518 -1.819624 -0.089796
C 2.592654 0.945596 0.137240
C -3.868241 0.035485 -0.107170
C -3.041116 -2.271315 -0.145775
C -4.124158 -1.337684 -0.154439
C 4.602335 -1.150929 0.103092
C 2.755635 -2.870159 0.083673
H -0.682252 3.469189 0.094884
H -3.079436 2.650459 -0.007399
H 3.634244 1.264083 0.194119
H -0.889104 -2.531337 -0.083901
H -4.696179 0.754061 -0.114016
H -3.252087 -3.345516 -0.183676
H -5.155388 -1.704549 -0.198562
H 4.893801 -0.492920 -0.737113
H 5.166892 -2.092464 0.018255
H 4.888898 -0.654439 1.051035
H 3.100650 -3.364779 1.012569
H 3.185733 -3.407599 -0.782580
H 1.661545 -2.943426 0.033616


