%chk=000244071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244071

0 1
O -3.071237 -2.013757 -0.224803
O -3.771002 -0.305046 -1.473282
O 1.823610 1.849726 -0.837394
N 2.475439 0.309631 0.705888
C -0.654606 -0.301204 0.199068
C -2.165799 0.130461 0.369240
C 0.105260 0.987287 0.654937
C -2.187421 1.626977 -0.035502
C -0.774275 2.175561 0.209635
C -0.292888 -1.516313 1.054357
C -0.359544 -0.615607 -1.273959
C -2.699833 -0.047343 1.793545
C -3.076197 -0.671177 -0.555456
C 1.508696 1.099470 0.071880
C 3.868118 0.264097 0.201367
C 4.172245 -1.054436 -0.457471
C 5.330095 -1.692477 -0.307506
H 0.172726 0.991908 1.769368
H -2.946518 2.189623 0.532942
H -2.474902 1.741443 -1.100226
H -0.364450 2.637838 -0.713822
H -0.772193 2.971937 0.971649
H -0.305930 -1.302979 2.126922
H -1.013814 -2.332140 0.878092
H 0.695699 -1.913500 0.801352
H -0.905139 -1.500158 -1.622512
H -0.620681 0.224215 -1.932416
H 0.704149 -0.820727 -1.444302
H -2.746115 -1.106399 2.082507
H -2.068521 0.474762 2.521647
H -3.714182 0.358756 1.896489
H 2.222651 -0.396738 1.387595
H -3.673545 -2.547284 -0.807863
H 4.016431 1.091666 -0.544136
H 4.557886 0.476689 1.049719
H 3.375697 -1.443129 -1.095356
H 5.558538 -2.625615 -0.803789
H 6.142150 -1.337419 0.310894


%chk=000244071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244071

0 1
O -3.358920 -1.983346 -0.008997
O -3.954157 -0.179274 -1.321843
O 1.745191 1.719235 -1.153070
N 2.516135 0.335762 0.546726
C -0.713121 -0.321427 -0.008320
C -2.194072 0.119450 0.421458
C 0.115837 0.917852 0.524726
C -2.229160 1.643454 0.091593
C -0.769247 2.164033 0.251784
C -0.241180 -1.650486 0.624566
C -0.615922 -0.433149 -1.554029
C -2.476123 -0.113861 1.933369
C -3.244650 -0.632108 -0.396445
C 1.511947 1.040601 -0.104981
C 3.907446 0.293314 0.056286
C 4.374958 -1.125874 -0.196449
C 5.475431 -1.682726 0.368532
H 0.241245 0.777099 1.617889
H -2.935051 2.165459 0.761546
H -2.595840 1.796480 -0.936785
H -0.414510 2.657377 -0.669185
H -0.677318 2.897928 1.071791
H -0.175590 -1.587006 1.726665
H -0.935597 -2.471509 0.375671
H 0.758983 -1.921610 0.238172
H -1.220144 -1.283242 -1.920728
H -0.959923 0.481968 -2.063956
H 0.428933 -0.606769 -1.864641
H -2.442925 -1.181306 2.200842
H -1.744999 0.434790 2.553471
H -3.480248 0.269114 2.191496
H 2.281540 -0.206930 1.380051
H -4.051328 -2.415571 -0.580140
H 3.905795 0.883616 -0.879952
H 4.584824 0.796364 0.773427
H 3.761836 -1.708761 -0.899722
H 5.784970 -2.707656 0.137000
H 6.105552 -1.122684 1.071482


