%chk=000269877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269877

0 1
O -0.572544 -0.229557 0.964396
O -0.119895 1.895282 -2.005560
O 1.697554 -0.099999 -1.603513
O 2.047145 1.313415 1.688210
O 1.890889 -2.800397 1.448064
O -1.232796 3.715494 -1.234762
O 3.685338 0.756364 -2.266711
O 3.645602 0.118732 2.755162
O 3.454203 -2.555367 -0.168445
N -2.259889 0.662255 -0.371955
C -0.863586 0.243823 -0.390204
C 0.099913 1.428738 -0.651714
C 1.555721 0.945725 -0.603319
C 1.869608 0.233688 0.727229
C 0.748738 -0.700183 1.230380
C -2.677434 1.662465 0.685672
C -3.280558 -0.346841 -0.446685
C -4.122316 1.285139 1.100021
C -4.407664 0.016137 0.349296
C 0.897542 -2.116279 0.639859
C -3.294948 -1.489882 -1.238691
C -5.546724 -0.766236 0.341423
C -0.869702 3.050569 -2.174974
C -4.461660 -2.276237 -1.232726
C 2.886511 -0.142281 -2.336096
C -5.566220 -1.925866 -0.459959
C 3.005995 1.140202 2.674994
C -1.071671 3.264265 -3.631033
C 2.914532 -1.415372 -3.093220
C 3.182531 -2.887733 0.964140
C 3.048509 2.364819 3.512848
C 4.063719 -3.410856 2.035854
H -0.693096 -0.583918 -1.119025
H -0.054649 2.264120 0.076675
H 2.272694 1.776248 -0.814083
H 2.836117 -0.329279 0.636247
H 0.751311 -0.739608 2.349973
H -1.991459 1.647033 1.555439
H -2.627815 2.670773 0.216739
H -4.207743 1.139273 2.191652
H -4.837150 2.083187 0.828005
H -0.019831 -2.713925 0.796227
H 1.187745 -2.117183 -0.428564
H -2.445929 -1.769957 -1.852761
H -6.413684 -0.501662 0.941628
H -4.493834 -3.174746 -1.847645
H -6.457072 -2.549380 -0.469725
H -2.112883 3.030907 -3.912367
H -0.417421 2.623534 -4.245664
H -0.883149 4.313575 -3.906832
H 1.922771 -1.714559 -3.462519
H 3.267596 -2.231811 -2.424261
H 3.607743 -1.361397 -3.945617
H 2.894773 2.120226 4.576555
H 4.031347 2.859171 3.432367
H 2.281808 3.103699 3.223014
H 4.911998 -3.976249 1.622264
H 4.480209 -2.564949 2.620207
H 3.527164 -4.052349 2.752790


%chk=000269877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269877

0 1
O -0.499029 -0.271319 1.218497
O -0.242126 1.801957 -1.925323
O 1.616881 -0.252956 -1.581296
O 2.102008 1.379883 1.702642
O 2.131355 -2.860481 1.584329
O -1.215061 3.757303 -1.084476
O 3.628732 0.673847 -2.326723
O 3.727165 0.157431 2.848250
O 3.568710 -2.640921 -0.242776
N -2.280873 0.556062 -0.126634
C -0.910192 0.179409 -0.177347
C 0.057686 1.323574 -0.556669
C 1.507582 0.830699 -0.568361
C 1.925458 0.216904 0.782296
C 0.879359 -0.760424 1.370022
C -2.767467 1.604635 0.835031
C -3.340086 -0.356925 -0.382191
C -4.313388 1.573536 0.658387
C -4.571258 0.188108 0.076293
C 1.020834 -2.208973 0.835797
C -3.295592 -1.616314 -1.018455
C -5.768077 -0.522665 -0.094656
C -0.920845 3.026116 -2.055520
C -4.511247 -2.326032 -1.184431
C 2.779492 -0.237382 -2.392381
C -5.739399 -1.794441 -0.728056
C 3.066245 1.212211 2.712712
C -1.225247 3.294269 -3.510233
C 2.820728 -1.465991 -3.262035
C 3.381188 -2.952355 0.956675
C 3.178355 2.454987 3.563607
C 4.425910 -3.419252 1.938510
H -0.774562 -0.656295 -0.887309
H -0.037991 2.155368 0.165103
H 2.202234 1.644060 -0.841433
H 2.901476 -0.286771 0.673774
H 1.027276 -0.811389 2.463332
H -2.476240 1.316427 1.863277
H -2.332364 2.586608 0.591601
H -4.838278 1.751183 1.612616
H -4.640785 2.356663 -0.053237
H 0.115861 -2.774057 1.107909
H 1.220450 -2.259158 -0.246788
H -2.356521 -2.051863 -1.376172
H -6.717472 -0.103269 0.258616
H -4.492703 -3.308020 -1.671185
H -6.665667 -2.363342 -0.860997
H -2.057762 2.644556 -3.835503
H -0.352989 3.055160 -4.139856
H -1.517423 4.346054 -3.641784
H 1.816710 -1.721287 -3.636539
H 3.183483 -2.304645 -2.639807
H 3.516638 -1.308771 -4.098995
H 3.031175 2.188795 4.624275
H 4.197128 2.870165 3.468734
H 2.442864 3.213926 3.262148
H 5.306390 -3.800369 1.401055
H 4.726189 -2.551705 2.555890
H 4.019091 -4.187723 2.614493


