%chk=000250853.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250853

0 1
O -0.799699 -0.803297 -0.780993
O -0.305449 0.504086 2.345636
O -1.564441 2.458671 -0.155572
O 0.106075 -2.952632 0.366975
O -3.781181 -0.614944 -2.013433
O 0.594649 2.527317 2.844420
O -2.899025 3.260209 1.489180
O -2.064732 -3.084482 1.001217
O -3.098932 -2.742653 -2.420629
N 1.447861 -0.343990 -0.540633
N 2.928993 -0.374117 -2.300259
N 3.036047 0.359834 1.274647
N 5.307815 0.726924 0.434164
N 5.915615 0.423254 -1.831338
C 0.191234 -0.534746 0.222345
C -0.217889 0.791242 0.938769
C -1.626550 1.127352 0.409486
C -1.879453 0.181594 -0.779595
C 0.276760 -1.760972 1.160329
C -3.180984 -0.615507 -0.690076
C 2.691574 0.030178 -0.013781
C 1.663208 -0.596639 -1.941464
C 3.601137 0.019355 -1.127471
C 0.208670 1.458539 3.236018
C -2.214526 3.489533 0.525329
C 4.953296 0.387693 -0.858215
C -1.172191 -3.496521 0.295589
C 0.130053 0.885859 4.601778
C -1.898805 4.765718 -0.160988
C -3.660556 -1.744253 -2.801167
C 4.348015 0.697027 1.411020
C -1.175394 -4.582435 -0.710889
C -4.333814 -1.479535 -4.101253
H 0.501252 1.633701 0.764315
H -2.396140 1.084402 1.216564
H -1.792771 0.714786 -1.757253
H -0.497323 -1.703912 1.956298
H 1.282355 -1.876331 1.609486
H -3.008947 -1.658003 -0.333451
H -3.956278 -0.126533 -0.072082
H 0.845815 -0.928112 -2.572120
H -0.279881 1.620786 5.314024
H -0.498418 -0.019507 4.648874
H 1.135547 0.604683 4.960195
H -1.200042 5.366636 0.448920
H -2.806413 5.372344 -0.309315
H -1.420241 4.614439 -1.143151
H 4.686690 0.978898 2.423014
H -1.650457 -5.494023 -0.320307
H -1.770550 -4.261060 -1.595297
H -0.167461 -4.836803 -1.072778
H 5.688801 0.165014 -2.779457
H 6.865004 0.677303 -1.609300
H -4.789636 -0.476705 -4.146028
H -5.131277 -2.217971 -4.284895
H -3.618812 -1.560796 -4.935704


%chk=000250853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250853

0 1
O -0.902530 -0.827109 -0.861746
O 0.027981 0.751046 2.239001
O -2.066779 2.412108 0.288218
O -0.116829 -3.010932 0.493047
O -3.447424 -0.389196 -2.675266
O 0.480038 3.041796 2.245155
O -2.853197 2.504990 2.489828
O -2.398615 -2.849484 0.984740
O -3.133432 -2.706456 -2.580544
N 1.427118 -0.551446 -0.558500
N 2.994433 -1.124194 -2.136650
N 2.897322 0.723548 1.014034
N 5.223265 0.817835 0.212788
N 5.931386 -0.206559 -1.796602
C 0.126832 -0.574827 0.155854
C -0.227230 0.802293 0.796885
C -1.726103 0.989739 0.459318
C -1.872635 0.302795 -0.909831
C 0.086162 -1.731664 1.195025
C -3.263623 -0.251956 -1.205097
C 2.642286 -0.007372 -0.113272
C 1.706015 -1.221460 -1.765901
C 3.590064 -0.367225 -1.110447
C 0.473338 1.948098 2.843913
C -2.563869 3.092766 1.429118
C 4.929334 0.078267 -0.909792
C -1.462045 -3.446132 0.408856
C 0.907315 1.673292 4.258920
C -2.638792 4.570763 1.151396
C -3.340629 -1.668720 -3.243171
C 4.212288 1.092952 1.090988
C -1.576508 -4.675986 -0.450678
C -3.506647 -1.577603 -4.744082
H 0.358103 1.623830 0.346159
H -2.355975 0.535584 1.246669
H -1.573297 1.010335 -1.708443
H -0.732202 -1.568866 1.913951
H 1.048308 -1.811999 1.720588
H -3.411772 -1.224763 -0.704367
H -4.031796 0.476532 -0.897301
H 0.923238 -1.741060 -2.309347
H 1.064885 2.620720 4.793483
H 0.154018 1.061407 4.781976
H 1.851551 1.100096 4.237289
H -1.636191 5.001116 1.332197
H -3.356700 5.047205 1.835139
H -2.908462 4.768354 0.102248
H 4.494536 1.688060 1.964775
H -2.256648 -5.401251 0.025271
H -2.032162 -4.369081 -1.409749
H -0.593414 -5.132139 -0.635428
H 5.728990 -0.754301 -2.630301
H 6.871469 0.133930 -1.606167
H -4.380390 -0.956059 -4.999474
H -3.618643 -2.586092 -5.167260
H -2.617538 -1.094630 -5.187715


