%chk=000128415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128415

0 1
 O    3.077400      0.1926000      -1.457700    
 N   -2.705100       1.071700      0.6456000    
 N   -2.907000       2.281100      9.2000000E-02
 N  -0.9614000     -0.5838000      0.9082000    
 N    1.336700       2.247400      -1.317400    
 N    3.164100      -1.056200      0.4942000    
 C  -0.7643000       1.560100     -0.2584000    
 C   -1.441400      0.5918000      0.4664000    
 C   -3.787100      0.4215000       1.346800    
 C   0.5758000       1.317900     -0.5849000    
 C    1.130300      0.1127000     -0.1535000    
 C   -1.723100       2.573400     -0.4566000    
 C   -4.647000     -0.4692000      0.4489000    
 C   0.3366000     -0.7727000      0.5682000    
 C    2.514200     -0.2404000     -0.4378000    
 C    4.542000      -1.473000      0.3654000    
 C   -3.869500      -1.555300     -0.1654000    
 C    5.419900     -0.4692000       1.035700    
 C   -3.232700      -2.439900     -0.6695000    
 C    6.394700      0.2029000      0.4129000    
 C   -2.453000      -3.513600      -1.283100    
 H   -4.405500       1.204200       1.802100    
 H   -3.349700     -0.1599000       2.167400    
 H   -1.612000       3.514000     -0.9772000    
 H   -5.463300     -0.8945000       1.043800    
 H   -5.107800      0.1362000     -0.3409000    
 H   0.7088000      -1.739000      0.8982000    
 H   0.8890000       3.105000      -1.616200    
 H    2.339400       2.269100      -1.179900    
 H    2.689500      -1.326000       1.349700    
 H    4.641600      -2.445000      0.8582000    
 H    4.787200      -1.594500     -0.6950000    
 H    5.262200     -0.2895000       2.096300    
 H    7.004800      0.9154000      0.9570000    
 H    6.599600      5.7500001E-02 -0.6420000    
 H   -2.256200      -4.312600     -0.5620000    
 H   -1.490600      -3.137500      -1.643500    
 H   -2.988100      -3.947000      -2.133300    


%chk=000128415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128415

0 1
O 3.475481 0.580967 -1.221082
N -2.605058 0.839628 0.655352
N -2.926708 1.902448 -0.195973
N -0.644464 -0.523141 1.227696
N 1.307996 1.965019 -1.699574
N 3.544327 -0.938622 0.519735
C -0.698367 1.346355 -0.438710
C -1.274280 0.475698 0.537532
C -3.630332 0.234831 1.507789
C 0.689865 1.186798 -0.760890
C 1.396866 0.156646 -0.030317
C -1.772013 2.201782 -0.853469
C -4.806487 -0.359701 0.684931
C 0.666947 -0.640928 0.912829
C 2.850995 -0.046421 -0.282054
C 4.996278 -1.162333 0.356483
C -4.417141 -1.502513 -0.160273
C 5.831548 -0.360361 1.343331
C -4.078562 -2.454144 -0.869610
C 6.732956 0.584473 0.981000
C -3.666474 -3.586083 -1.715052
H -4.024664 1.006596 2.193856
H -3.123525 -0.547835 2.096162
H -1.781930 3.013780 -1.579715
H -5.595875 -0.665726 1.399923
H -5.230829 0.448604 0.059459
H 1.173436 -1.455482 1.446272
H 0.795588 2.689783 -2.195811
H 2.304183 1.746624 -1.883376
H 3.078444 -1.374874 1.314297
H 5.193490 -2.245648 0.479209
H 5.252490 -0.875311 -0.676023
H 5.674429 -0.582790 2.410183
H 7.319819 1.135071 1.725250
H 6.900970 0.838574 -0.072346
H -3.575600 -4.516093 -1.124021
H -2.686055 -3.390504 -2.187289
H -4.398745 -3.769467 -2.523002


