%chk=000267862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267862

0 1
O -2.056305 3.230025 -0.031667
N 4.011987 0.119215 -0.323634
N -0.828066 2.584962 -0.062892
C -0.077166 -0.943099 -0.061085
C 0.326607 0.431251 -0.082661
C -1.544601 -1.002194 -0.019816
C -2.049048 0.341448 -0.015136
C -0.903100 1.288362 -0.053421
C 1.652391 0.798336 -0.119686
C 2.644751 -0.228559 -0.142221
C 0.886152 -1.937604 -0.080942
C 2.242033 -1.580583 -0.115522
C -2.417051 -2.076343 0.011565
C -3.408066 0.591733 0.020551
C -3.801929 -1.813357 0.047932
C -4.289181 -0.509053 0.052466
C 5.022570 -0.902531 0.064526
C 4.420497 1.486301 0.101455
H 1.929297 1.851208 -0.145761
H 0.602100 -2.988795 -0.067305
H 2.984626 -2.375018 -0.136085
H -2.051782 -3.099270 0.007831
H -3.789008 1.613364 0.023623
H -4.497734 -2.651546 0.072549
H -5.362076 -0.328573 0.080536
H 6.027014 -0.556902 -0.230719
H 4.832588 -1.839516 -0.488962
H 5.032950 -1.127567 1.142582
H 4.340536 1.654514 1.186911
H 3.797527 2.238181 -0.416456
H 5.462722 1.670807 -0.206724
H -1.790233 4.210604 -0.050234


%chk=000267862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267862

0 1
O -2.096774 3.240880 -0.000341
N 4.040364 0.116920 -0.004698
N -0.786908 2.592243 -0.000970
C -0.086099 -0.946953 -0.002066
C 0.324435 0.421610 -0.002306
C -1.559964 -0.993589 -0.000947
C -2.065470 0.353297 -0.000549
C -0.900134 1.273868 -0.001043
C 1.672574 0.797613 -0.003203
C 2.682285 -0.222675 -0.003673
C 0.899490 -1.952220 -0.003245
C 2.265085 -1.596868 -0.004192
C -2.453336 -2.082093 -0.000412
C -3.452214 0.606470 0.000287
C -3.847906 -1.823959 0.000461
C -4.343284 -0.497222 0.000794
C 5.062810 -0.934954 0.000843
C 4.443881 1.528367 -0.002446
H 1.933459 1.858163 -0.003751
H 0.622555 -3.012628 -0.003680
H 3.013818 -2.393490 -0.005991
H -2.084811 -3.113882 -0.000669
H -3.824513 1.632377 0.000647
H -4.552857 -2.663429 0.000840
H -5.424671 -0.321803 0.001477
H 6.063009 -0.473801 0.003476
H 4.991546 -1.585811 -0.894938
H 4.984946 -1.582383 0.898659
H 4.072249 2.062586 0.895938
H 4.067411 2.066255 -0.896380
H 5.543242 1.594938 -0.005478
H -1.853216 4.201978 -0.000846


