%chk=000267138.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267138

0 1
O 3.792003 2.408060 -0.376457
O 2.177977 -1.869134 -1.120103
O 0.604938 0.854372 0.793114
O -3.261297 1.075238 -1.599521
N 2.729852 0.399161 -0.940106
N -0.715684 1.813313 -0.801236
N -3.900474 0.672719 0.586451
C 4.708992 0.212003 0.274588
C 4.212514 -1.102895 0.046826
C 1.489996 0.961320 -1.482956
C 3.760540 1.208168 -0.326760
C 2.920542 -1.017588 -0.712831
C 5.887062 0.422029 0.957992
C 4.892453 -2.211766 0.501862
C 0.450332 1.163159 -0.372907
C 6.587171 -0.715340 1.427326
C 6.102481 -1.998786 1.205093
C -1.844625 1.962440 0.133701
C -3.055663 1.189058 -0.406508
C -5.122228 -0.048025 0.361569
C -5.815414 -0.506745 1.501700
C -5.628098 -0.290618 -0.925743
C -7.012410 -1.203894 1.337330
C -6.828215 -0.990644 -1.065137
C -7.523711 -1.448019 0.058120
H 1.719822 1.937524 -1.979652
H 1.085297 0.267208 -2.262121
H 6.269975 1.427788 1.136361
H 4.514428 -3.220789 0.331306
H 7.521010 -0.571150 1.973310
H 6.655349 -2.863315 1.576450
H -0.953751 1.927057 -1.787176
H -1.530098 1.633222 1.157123
H -2.117138 3.043194 0.217527
H -3.623288 0.768157 1.566742
H -5.429457 -0.326693 2.501463
H -5.089381 0.059919 -1.812189
H -7.551343 -1.560875 2.214792
H -7.222532 -1.180830 -2.063834
H -8.457326 -1.992507 -0.061412


%chk=000267138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267138

0 1
O 3.179976 2.295882 -0.344898
O 3.301829 -2.361164 -1.012888
O 0.948210 -0.259068 1.095982
O -3.203738 0.226565 -1.466992
N 2.938195 -0.018776 -0.828896
N -0.747824 0.013645 -0.462824
N -4.261176 0.018464 0.626743
C 4.933916 0.602737 0.189500
C 4.970758 -0.798998 -0.012428
C 1.563548 0.011176 -1.292052
C 3.624988 1.122869 -0.320128
C 3.685996 -1.221046 -0.656157
C 6.007828 1.285114 0.779446
C 6.082519 -1.564270 0.368711
C 0.573640 -0.089914 -0.101415
C 7.136968 0.519524 1.171133
C 7.173784 -0.883586 0.968877
C -1.812597 -0.065490 0.528871
C -3.159320 0.075642 -0.207241
C -5.647109 0.109046 0.290570
C -6.578644 0.029831 1.360016
C -6.109813 0.269842 -1.042012
C -7.961664 0.109878 1.102499
C -7.498966 0.348215 -1.281734
C -8.431147 0.269648 -0.222212
H 1.391109 0.952858 -1.843523
H 1.409767 -0.845491 -1.973103
H 5.967532 2.368211 0.931191
H 6.098584 -2.646815 0.208761
H 7.993530 1.017225 1.638352
H 8.058121 -1.448312 1.283082
H -1.063227 0.154232 -1.431252
H -1.764360 -1.029760 1.074500
H -1.696413 0.733328 1.289251
H -4.064086 -0.104685 1.624054
H -6.222185 -0.093918 2.391208
H -5.389702 0.331279 -1.859494
H -8.670393 0.047473 1.935265
H -7.852195 0.472152 -2.311381
H -9.505635 0.331953 -0.423286


