%chk=000012446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012446

0 1
 O    2.723300       1.097600      0.3188000    
 O   -2.723200       1.097600      0.3185000    
 O    3.250800     -0.2305000      -1.502600    
 O   -3.249700     -0.2297000      -1.503800    
 N  -6.0000003E-04  -2.171200      0.9642000    
 C   6.9999998E-04 -9.4999997E-03 -0.8667000    
 C    1.272600     -0.5868000     -0.2466000    
 C   -1.271700     -0.5860000     -0.2476000    
 C    1.226200      -1.638900      0.6015000    
 C   -1.226600      -1.638100      0.6005000    
 C   1.2000001E-03 -0.2620000      -2.382300    
 C    2.534900      9.4999999E-02 -0.5730000    
 C   -2.533800      9.5799997E-02 -0.5742000    
 C    2.419900      -2.313000       1.221900    
 C   -2.422000      -2.310700       1.219300    
 C    3.919500       1.860900      0.1309000    
 C   -3.920100       1.859900      0.1312000    
 C    3.990900       2.935700       1.194600    
 C   -3.992200       2.933800       1.195700    
 H   8.9999998E-04   1.074300     -0.6875000    
 H  -0.8776000      0.1834000      -2.861200    
 H   0.8803000      0.1833000      -2.860600    
 H   1.2000001E-03  -1.334100      -2.611900    
 H  -1.1000000E-03  -2.959100       1.602100    
 H    2.372700      -2.235100       2.313400    
 H    3.370700      -1.878500      0.9006000    
 H    2.436800      -3.374400      0.9520000    
 H   -3.372200      -1.875600      0.8968000    
 H   -2.376200      -2.232500       2.310800    
 H   -2.439500      -3.372200      0.9500000    
 H    4.790300       1.200800      0.2125000    
 H    3.905500       2.323200     -0.8624000    
 H   -3.906600       2.323100     -0.8618000    
 H   -4.790400       1.199000      0.2123000    
 H    4.895300       3.539600       1.080400    
 H    3.117000       3.593000       1.137200    
 H    3.987400       2.489100       2.194400    
 H   -4.897200       3.537100       1.082100    
 H   -3.988400       2.486400       2.195100    
 H   -3.118800       3.591900       1.138800    


%chk=000012446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012446

0 1
O 2.348027 1.342988 0.310447
O -2.348829 1.343478 0.295678
O 3.657357 -0.534363 0.761018
O -3.661273 -0.533417 0.739098
N -0.000852 -2.806164 0.287141
C 0.000806 -0.013004 -0.157333
C 1.262711 -0.773845 0.268612
C -1.263775 -0.773543 0.261082
C 1.239013 -2.154363 0.374801
C -1.241042 -2.154061 0.367488
C 0.005485 0.231449 -1.696956
C 2.523872 -0.047786 0.473084
C -2.525990 -0.047184 0.457710
C 2.418873 -3.066771 0.629255
C -2.422633 -3.066163 0.614900
C 3.566212 2.172291 0.524099
C -3.568100 2.173131 0.501626
C 3.149161 3.625789 0.318309
C -3.149329 3.626509 0.298509
H -0.000524 0.975448 0.327415
H -0.889141 0.808003 -1.992810
H 0.902423 0.807136 -1.987462
H 0.006682 -0.726886 -2.248614
H -0.001134 -3.825386 0.345612
H 2.817005 -2.920745 1.648691
H 3.254312 -2.835052 -0.049290
H 2.131606 -4.128494 0.509221
H -3.253934 -2.834215 -0.068644
H -2.826835 -2.920024 1.631925
H -2.134942 -4.127955 0.496553
H 3.948722 1.982149 1.543799
H 4.342657 1.849405 -0.193641
H -4.340033 1.850469 -0.221064
H -3.957145 1.983085 1.518867
H 4.020396 4.290801 0.462918
H 2.757016 3.782283 -0.701369
H 2.365783 3.916226 1.039300
H -4.021254 4.291777 0.437678
H -2.370409 3.916670 1.024424
H -2.750743 3.782935 -0.718680


