%chk=000213641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213641

0 1
O 5.450714 -1.742086 -0.717057
N -0.218895 -1.796440 -0.003603
N 3.387170 -0.879099 -0.263129
N -5.966921 -0.599438 0.813166
C 2.666609 -2.151161 -0.543862
C 1.626377 -1.944105 -1.661432
C 1.983607 -2.680771 0.731805
C 0.404612 -1.138308 -1.197729
C 0.752544 -1.857621 1.137749
C -1.474867 -1.087274 0.409264
C -2.617629 -1.489491 -0.545589
C -3.900164 -0.882252 -0.109995
C -4.307402 0.483753 -0.327783
C -4.922858 -1.518095 0.583629
C -5.610945 0.638338 0.260897
C 4.773081 -0.783747 -0.382365
C -3.708383 1.590721 -0.960209
C -6.302713 1.869049 0.223614
C 5.339398 0.567080 -0.055332
C -7.224226 -0.896373 1.504555
C -4.390719 2.792986 -0.993323
C -5.677774 2.928843 -0.404876
C 6.333438 0.658129 0.927554
C 4.914214 1.710905 -0.742406
C 6.889522 1.903093 1.235522
C 5.477745 2.952247 -0.433442
C 6.461192 3.048917 0.557052
H 3.432338 -2.904006 -0.888795
H 1.290712 -2.942765 -2.011535
H 2.091628 -1.451810 -2.535569
H 2.705046 -2.714066 1.569498
H 1.673421 -3.730828 0.548573
H 0.689338 -0.081110 -1.009737
H -0.354960 -1.123671 -2.011682
H 0.243760 -2.361082 1.989835
H 1.063277 -0.853735 1.497559
H -1.371159 0.018230 0.434194
H -1.744708 -1.400668 1.441661
H -2.380971 -1.177700 -1.584390
H -2.690658 -2.597250 -0.584922
H 2.827913 -0.094851 0.051517
H -4.978067 -2.536970 0.919829
H -2.725427 1.483796 -1.412257
H -7.284508 1.967233 0.672324
H -7.252475 -1.945268 1.845014
H -7.346727 -0.246549 2.390884
H -8.088646 -0.732291 0.834431
H -3.948112 3.660611 -1.476786
H -6.172680 3.897485 -0.458863
H 6.676109 -0.242844 1.439228
H 4.158297 1.633742 -1.523127
H 7.661432 1.978237 2.000096
H 5.153357 3.843872 -0.967540
H 6.897844 4.017758 0.796684


%chk=000213641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213641

0 1
O 5.265200 -1.830873 0.457305
N -0.173423 -1.827782 -0.097886
N 3.385686 -0.877930 -0.515952
N -5.995947 -0.581446 0.847626
C 2.708720 -2.180758 -0.714650
C 1.627529 -2.056052 -1.811620
C 2.061085 -2.699573 0.597261
C 0.401641 -1.246582 -1.332102
C 0.835421 -1.858283 0.995629
C -1.434906 -1.165252 0.319142
C -2.646783 -1.557561 -0.569410
C -3.930311 -0.906267 -0.115266
C -4.310998 0.486862 -0.285352
C -4.979647 -1.514900 0.574654
C -5.605718 0.658229 0.325862
C 4.643944 -0.793692 0.053111
C -3.692226 1.606290 -0.903257
C -6.279776 1.900451 0.336813
C 5.242222 0.587081 0.178528
C -7.255311 -0.847609 1.541803
C -4.359734 2.846692 -0.897995
C -5.639057 2.992932 -0.282650
C 6.297942 0.755619 1.110526
C 4.823357 1.698198 -0.600063
C 6.908206 2.015272 1.281048
C 5.437975 2.959032 -0.432794
C 6.476987 3.122751 0.512555
H 3.494839 -2.892665 -1.024735
H 1.286328 -3.073588 -2.075285
H 2.055385 -1.595019 -2.722563
H 2.815723 -2.693238 1.403350
H 1.741067 -3.746657 0.436416
H 0.685907 -0.166408 -1.171379
H -0.364259 -1.248422 -2.127393
H 0.359564 -2.295791 1.892370
H 1.166888 -0.822231 1.272970
H -1.331925 -0.050121 0.337926
H -1.655526 -1.478452 1.356587
H -2.442468 -1.276687 -1.621537
H -2.737497 -2.658964 -0.548285
H 2.861827 -0.025079 -0.717609
H -5.083479 -2.552280 0.891007
H -2.710753 1.507362 -1.381772
H -7.263261 2.018880 0.804917
H -7.289266 -1.905963 1.845727
H -7.348373 -0.222123 2.449265
H -8.122806 -0.645883 0.885616
H -3.894257 3.717955 -1.372511
H -6.131763 3.971734 -0.293616
H 6.624020 -0.121145 1.679633
H 4.047715 1.586002 -1.367707
H 7.719262 2.135135 2.007726
H 5.114956 3.808477 -1.044813
H 6.952177 4.101620 0.641631


