%chk=000208807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208807

0 1
O 6.198028 -1.515443 -0.116588
O 0.890888 3.118749 -0.390176
N 3.697092 -0.146806 0.008650
N 0.137127 1.054421 0.261117
N -0.823368 0.130456 0.394067
C 2.412500 0.404243 -0.524650
C 3.752591 -1.638186 -0.138714
C 4.883646 0.481612 -0.658100
C 1.503212 0.628359 0.703449
C 5.055706 -2.141654 0.502463
C 6.159519 -0.077401 -0.007811
C -0.072040 2.383626 -0.289803
C -2.067708 0.424296 0.029532
C -2.437338 1.726566 -0.517668
C -1.450839 2.654427 -0.660067
C -3.087443 -0.638444 0.206527
C -3.851699 1.988632 -0.888760
C -3.436838 -1.455681 -0.878721
C -3.706040 -0.812197 1.452894
C -4.413321 -2.441536 -0.713976
C -4.681808 -1.800912 1.607435
C -5.037712 -2.613465 0.526077
H 1.916340 -0.257811 -1.264256
H 2.570047 1.381140 -1.038586
H 3.703100 -1.971293 -1.197924
H 2.877299 -2.076162 0.386569
H 4.831526 1.580981 -0.499763
H 4.910571 0.303495 -1.754398
H 1.925321 1.434958 1.348245
H 1.433795 -0.292907 1.324332
H 5.081447 -1.942554 1.588354
H 5.233892 -3.212312 0.302291
H 7.071866 0.226153 -0.549792
H 6.232080 0.203785 1.057699
H -1.635176 3.652890 -1.059429
H -4.014494 3.003840 -1.276284
H -4.522191 1.857234 -0.023071
H -4.200734 1.283026 -1.660636
H -2.941711 -1.327682 -1.839545
H -3.418910 -0.185826 2.296023
H -4.685469 -3.080193 -1.553101
H -5.162760 -1.940461 2.574646
H -5.797494 -3.383063 0.650546


%chk=000208807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208807

0 1
O 6.158971 -1.625606 0.155287
O 0.932477 3.268964 -0.410247
N 3.675626 -0.134889 -0.001521
N 0.114786 1.162016 0.244986
N -0.856175 0.201632 0.336054
C 2.357365 0.318176 -0.487873
C 3.692886 -1.553476 0.436181
C 4.791603 0.133972 -0.943569
C 1.462194 0.753397 0.700479
C 5.047359 -1.883478 1.085552
C 6.130068 -0.215452 -0.271909
C -0.057393 2.476770 -0.307392
C -2.107592 0.494559 -0.083888
C -2.452960 1.820306 -0.589981
C -1.433862 2.758946 -0.680305
C -3.078797 -0.629864 0.067142
C -3.873064 2.211353 -0.952589
C -4.041403 -0.932312 -0.933456
C -3.014048 -1.460269 1.219393
C -4.924217 -2.023241 -0.778278
C -3.897238 -2.548616 1.375015
C -4.860426 -2.833253 0.378314
H 1.826746 -0.468841 -1.077348
H 2.498589 1.195133 -1.143854
H 3.521315 -2.245345 -0.426873
H 2.884668 -1.725675 1.171424
H 4.784003 1.206782 -1.211877
H 4.692069 -0.461569 -1.885652
H 1.937252 1.613457 1.198328
H 1.319860 -0.071245 1.416129
H 5.176313 -1.270413 2.003577
H 5.118247 -2.954276 1.339037
H 6.971542 -0.103685 -0.975467
H 6.285207 0.445189 0.608153
H -1.632001 3.775458 -1.033927
H -3.997881 3.305110 -0.882075
H -4.610127 1.727776 -0.289724
H -4.124140 1.917892 -1.988953
H -4.083678 -0.338345 -1.851900
H -2.263023 -1.239782 1.984550
H -5.653749 -2.245712 -1.564832
H -3.836797 -3.173200 2.273198
H -5.548078 -3.677443 0.499787


