%chk=000240497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240497

0 1
O -1.190934 -0.230483 0.065408
O 3.045944 2.032406 0.153273
O -3.466141 -0.229950 -1.269488
O 3.269140 -0.554038 -0.482392
O -4.481511 1.295066 0.068417
O 3.129732 -1.072515 1.728027
N -2.508097 0.749308 -1.570382
N 2.002779 0.033211 -0.391952
C -0.835568 3.192983 -1.285564
C 0.598339 3.505535 0.450184
C -0.308703 1.744402 -0.999522
C 0.616244 1.949526 0.247949
C 0.474679 4.007306 -1.023807
C -1.665009 3.619332 -0.070114
C -0.815264 3.813274 0.955679
C -1.357156 0.685608 -0.710161
C 2.019901 1.404291 0.047131
C -4.445787 0.151339 -0.320701
C 3.801443 -1.066370 0.725683
C -5.311357 -1.001134 -0.018546
C 5.167149 -1.566695 0.478446
C -4.886276 -2.313091 -0.281671
C 5.905449 -1.139141 -0.635944
C -6.570440 -0.760994 0.558330
C 5.722999 -2.473085 1.397140
C -5.728202 -3.384140 0.026805
C 7.199605 -1.626877 -0.832948
C -7.404410 -1.837954 0.861849
C 7.016466 -2.955573 1.191095
C -6.984023 -3.146921 0.595859
C 7.752873 -2.533483 0.077654
H -1.302147 3.323147 -2.265639
H 1.436987 3.895161 1.036653
H 0.280845 1.391764 -1.884679
H 0.182675 1.448319 1.152078
H 0.339206 5.092776 -1.106893
H 1.322884 3.732516 -1.662403
H -2.732968 3.715353 -0.102244
H -1.012869 4.107413 1.967204
H -2.964576 1.657518 -1.715349
H 1.326691 -0.619642 0.030097
H -3.899197 -2.487377 -0.721643
H 5.464561 -0.425980 -1.338995
H -6.884272 0.264459 0.768319
H 5.141042 -2.789218 2.266511
H -5.403269 -4.404711 -0.174404
H 7.777563 -1.297910 -1.695876
H -8.381888 -1.659471 1.308811
H 7.453225 -3.658763 1.899221
H -7.638581 -3.985790 0.835997
H 8.763523 -2.911906 -0.079005


%chk=000240497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240497

0 1
O -0.605335 -0.560445 -0.104776
O 3.234360 2.221316 0.038019
O -3.355480 -0.380183 -0.380469
O 3.356733 -0.574954 -0.399813
O -5.017415 1.223448 -0.719733
O 3.771562 -0.513065 1.928740
N -2.473503 0.728787 -0.636729
N 2.148874 0.147338 -0.126775
C -0.914735 3.191286 -1.019802
C 0.718067 3.625483 0.516088
C -0.265754 1.769372 -0.771335
C 0.776382 2.056484 0.387058
C 0.394494 4.045899 -0.952103
C -1.610290 3.653310 0.272884
C -0.630346 3.916324 1.186272
C -1.128492 0.546013 -0.457331
C 2.189431 1.514332 0.079759
C -4.723470 0.031181 -0.460659
C 4.158681 -0.810146 0.786499
C -5.635575 -1.102145 -0.208702
C 5.441051 -1.460462 0.408032
C -5.153421 -2.404956 0.092887
C 5.821640 -1.664701 -0.944631
C -7.032496 -0.851427 -0.273919
C 6.299772 -1.878421 1.459196
C -6.072295 -3.447676 0.326449
C 7.052512 -2.288145 -1.237564
C -7.942841 -1.900551 -0.039605
C 7.527873 -2.500943 1.159192
C -7.464649 -3.198928 0.260618
C 7.905727 -2.707982 -0.189355
H -1.500290 3.261791 -1.950814
H 1.619210 4.052327 0.974767
H 0.290646 1.494096 -1.689957
H 0.441194 1.581986 1.327435
H 0.195456 5.125225 -1.049764
H 1.170180 3.737440 -1.675218
H -2.691910 3.702899 0.429747
H -0.758919 4.194350 2.235598
H -2.969633 1.610559 -0.822308
H 1.273090 -0.414158 -0.069644
H -4.076236 -2.587965 0.142523
H 5.159615 -1.328541 -1.746729
H -7.379785 0.160523 -0.506742
H 5.988696 -1.704063 2.494522
H -5.705500 -4.452439 0.559878
H 7.349015 -2.443647 -2.280355
H -9.019842 -1.710050 -0.089537
H 8.189686 -2.822611 1.970361
H -8.174052 -4.013586 0.443118
H 8.861614 -3.190775 -0.421775


