%chk=000003250.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003250

0 1
 O   -2.545300       1.320500      -1.089100    
 O   -6.218700      -1.152300     -0.5050000    
 N  -0.2814000      -2.279600      0.1130000    
 N    5.341300     -0.1866000      0.1282000    
 N   -3.998100      0.3007000      0.4170000    
 C   0.9139000      -1.476000     -0.2691000    
 C   0.7550000      4.1600000E-02  4.7100000E-02
 C    2.197800      -2.110300      0.3841000    
 C   -1.674200     -0.2746000      0.4581000    
 C   -1.521900      -1.601200     -0.2900000    
 C    3.367900      -1.202000      0.2524000    
 C    1.963400      0.8916000     -4.3600000E-02
 C    3.164400      0.1802000      6.1299998E-02
 C  -0.4310000      0.5592000      0.4118000    
 C    4.397100      0.8074000     -1.1300000E-02
 C  -0.2545000      -3.626100     -0.4679000    
 C    4.726600      -1.409400      0.2913000    
 C   -2.767100      0.5352000     -0.1711000    
 C    2.054200       2.276800     -0.2268000    
 C    4.505300       2.187000     -0.1925000    
 C    3.304900       2.907000     -0.2984000    
 C   -5.210200      0.9732000      8.8000000E-03
 C   -6.420200      6.2899999E-02  0.2076000    
 C   -5.369100       2.274800      0.7840000    
 H    1.038200      -1.529800      -1.362600    
 H    2.437200      -3.067600     -9.2200004E-02
 H    2.020500      -2.300400       1.450700    
 H   -1.906800     -0.4622000       1.514500    
 H   -2.390700      -2.227300     -4.6200000E-02
 H   -1.546400      -1.448400      -1.378700    
 H  -0.5187000       1.604400      0.6986000    
 H  -0.1830000      -3.602200      -1.561200    
 H   -1.161100      -4.180000     -0.1978000    
 H   0.5780000      -4.216600     -7.4699998E-02
 H    5.317100      -2.305200      0.4223000    
 H    1.159300       2.885400     -0.3273000    
 H    6.341300     -4.1000001E-02  0.1177000    
 H    5.467300       2.683400     -0.2503000    
 H    3.347100       3.984400     -0.4433000    
 H   -4.055600     -0.3358000       1.206800    
 H   -5.113300       1.205800      -1.058800    
 H   -6.557900     -0.1920000       1.263700    
 H   -7.339800      0.5332000     -0.1553000    
 H   -4.513400       2.938100      0.6168000    
 H   -5.435500       2.090000       1.862100    
 H   -6.273800       2.806900      0.4723000    
 H   -6.107900     -0.9258000      -1.444200    


%chk=000003250-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003250

0 1
O -2.733810 1.948831 -0.449995
O -6.173946 -1.481804 -0.302033
N -0.324986 -2.105390 0.024063
N 5.490605 -0.360970 0.128782
N -4.079360 0.252676 0.392687
C 0.949284 -1.381216 -0.246951
C 0.835331 0.127551 0.070742
C 2.134231 -2.064556 0.527114
C -1.639881 -0.063726 0.511216
C -1.529035 -1.335467 -0.366569
C 3.401429 -1.271309 0.323529
C 2.101580 0.892889 -0.057295
C 3.290956 0.135202 0.055411
C -0.345087 0.707849 0.423774
C 4.593726 0.701891 -0.055969
C -0.348422 -3.464357 -0.558556
C 4.764627 -1.556083 0.356888
C -2.846597 0.809988 0.102084
C 2.258449 2.278297 -0.296426
C 4.749470 2.088028 -0.289090
C 3.561172 2.851191 -0.403231
C -5.355280 0.877825 -0.011815
C -6.486318 -0.144231 0.231468
C -5.634729 2.188708 0.756851
H 1.205870 -1.448255 -1.339848
H 2.256108 -3.107898 0.185604
H 1.850931 -2.100775 1.597804
H -1.803078 -0.404338 1.556701
H -2.407815 -1.991504 -0.219100
H -1.513171 -1.031117 -1.444150
H -0.393413 1.782450 0.633181
H -0.224822 -3.468339 -1.671253
H -1.312494 -3.946549 -0.318486
H 0.449422 -4.088720 -0.124656
H 5.287604 -2.495722 0.527090
H 1.381017 2.920648 -0.429024
H 6.505173 -0.292849 0.105529
H 5.731123 2.565125 -0.382350
H 3.646049 3.927446 -0.593446
H -4.128883 -0.721686 0.704539
H -5.291768 1.119548 -1.094930
H -6.620163 -0.313198 1.314016
H -7.435286 0.249255 -0.184877
H -4.823542 2.908497 0.565830
H -5.694539 1.997918 1.843794
H -6.589138 2.637737 0.423466
H -6.106396 -1.432193 -1.289316


