%chk=000236421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236421

0 1
O -2.497490 2.515071 -0.280748
O -3.821554 -1.909442 -0.441409
N 0.333693 1.468472 0.421012
N -1.609780 -1.525390 0.063080
N 2.592478 0.779928 1.102946
N -3.161671 0.309407 -0.363322
N 0.730493 -0.800511 0.577553
C -0.885487 0.804791 0.153645
C -0.605218 -0.583438 0.268230
C 1.283092 0.472553 0.674708
C 3.521028 -0.376052 1.272759
C -2.178506 1.345772 -0.167222
C 4.081324 -0.931889 -0.042367
C -2.936013 -1.094439 -0.261089
C 0.507330 2.921319 0.435294
C 5.106486 0.000493 -0.698799
C -1.315880 -2.973272 0.188755
C -4.555809 0.710978 -0.699019
C 5.654442 -0.592795 -1.994458
H 4.338678 -0.018232 1.939259
H 2.987750 -1.186207 1.826875
H 3.021747 1.546266 0.570775
H 3.248657 -1.147391 -0.744197
H 4.546011 -1.919199 0.154337
H 1.176166 3.253025 -0.377566
H -0.477443 3.424344 0.284360
H 0.914105 3.260066 1.405766
H 5.941515 0.196552 0.003065
H 4.648796 0.985981 -0.909638
H -2.232680 -3.565231 0.002636
H -0.942118 -3.199926 1.203214
H -0.542451 -3.269997 -0.541544
H -4.624902 1.813769 -0.758783
H -5.256808 0.349809 0.073080
H -4.856973 0.279806 -1.669226
H 4.858324 -0.772664 -2.726675
H 6.383801 0.078539 -2.461997
H 6.157868 -1.551067 -1.820192


%chk=000236421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236421

0 1
O -2.497165 2.587487 -0.298791
O -3.844204 -1.936407 -0.482492
N 0.334056 1.472648 0.443569
N -1.602470 -1.500353 0.064426
N 2.557944 0.703790 1.045919
N -3.146102 0.300085 -0.384519
N 0.700555 -0.793911 0.606637
C -0.896032 0.826684 0.161633
C -0.621784 -0.544255 0.277214
C 1.251414 0.457976 0.703245
C 3.510101 -0.399178 1.285050
C -2.179262 1.356955 -0.177506
C 4.128906 -0.986721 -0.005503
C -2.918159 -1.097580 -0.279192
C 0.569587 2.920490 0.485545
C 5.006177 0.012637 -0.792226
C -1.290079 -2.935534 0.192440
C -4.526256 0.693565 -0.745707
C 5.616529 -0.608589 -2.067087
H 4.307823 -0.013342 1.948375
H 2.966502 -1.191446 1.827745
H 2.911946 1.656293 0.973881
H 3.310339 -1.364640 -0.647899
H 4.740380 -1.867435 0.279395
H 1.323062 3.224141 -0.266161
H -0.383051 3.421715 0.251348
H 0.904942 3.236041 1.491460
H 5.820044 0.384922 -0.135189
H 4.396913 0.895896 -1.074398
H -2.212609 -3.494980 -0.020370
H -0.936021 -3.156963 1.213384
H -0.498885 -3.216919 -0.522840
H -4.547858 1.792170 -0.795989
H -5.237143 0.326489 0.012851
H -4.803498 0.254917 -1.718330
H 4.823123 -0.963183 -2.751250
H 6.236825 0.122356 -2.617386
H 6.256412 -1.476021 -1.818182


