%chk=000241099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241099

0 1
O -0.107688 0.086094 -0.025076
O -1.654030 1.833887 0.026720
C 0.725403 2.370691 -0.142641
C 1.016275 0.931882 0.347386
C -2.425390 -0.404860 -0.159918
C -1.373818 0.505013 0.498380
C -0.651482 2.803283 0.390435
C 2.197703 0.270025 -0.370171
C -2.176102 -1.872074 0.229776
C 1.824167 3.347001 0.303777
C -3.842014 0.037926 0.252478
C 2.778905 -0.893475 0.441402
C -3.187944 -2.788855 -0.472973
C -4.877708 -0.981120 -0.116663
C 3.934334 -1.573575 -0.304062
C 1.706976 4.709433 -0.373418
C -4.587504 -2.248950 -0.426757
C 4.518948 -2.736998 0.509332
C 5.668976 -3.419568 -0.227857
H 0.668644 2.348321 -1.259845
H 1.117629 0.897127 1.452922
H -2.321507 -0.299757 -1.269934
H -1.347246 0.498633 1.603741
H -1.023037 3.718663 -0.104217
H -0.660934 2.938391 1.484811
H 2.982147 1.020598 -0.586503
H 1.845389 -0.100406 -1.357739
H -2.257735 -1.994824 1.325708
H -1.140566 -2.158009 -0.041816
H 2.818202 2.908199 0.073210
H 1.802759 3.470696 1.404326
H -4.067419 1.016050 -0.222991
H -3.891405 0.218915 1.346298
H 1.975651 -1.630099 0.648390
H 3.126189 -0.534516 1.428758
H -2.895423 -2.926742 -1.536008
H -3.154264 -3.797930 -0.016370
H -5.903403 -0.616173 -0.101700
H 4.728555 -0.836266 -0.528229
H 3.582608 -1.943854 -1.286689
H 2.538277 5.364807 -0.087978
H 0.778746 5.224354 -0.101287
H 1.721584 4.620888 -1.466515
H -5.364679 -2.966477 -0.683620
H 4.871251 -2.369939 1.493024
H 3.724921 -3.477476 0.729596
H 6.490196 -2.722584 -0.429424
H 6.078902 -4.248903 0.359282
H 5.343861 -3.829349 -1.191053


%chk=000241099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241099

0 1
O -0.004244 0.124741 -0.204369
O -1.658293 1.865726 -0.265490
C 0.771740 2.486362 -0.262760
C 1.075410 1.046579 0.244392
C -2.360919 -0.461610 -0.196310
C -1.314263 0.549167 0.274012
C -0.666640 2.866055 0.166831
C 2.384290 0.432434 -0.272446
C -2.084144 -1.871393 0.382551
C 1.796037 3.521007 0.273178
C -3.790423 0.005612 0.177884
C 2.671720 -0.969603 0.309868
C -3.065777 -2.909091 -0.209991
C -4.818882 -1.092954 -0.021396
C 3.964650 -1.599450 -0.253010
C 1.555262 4.965450 -0.223089
C -4.496894 -2.399721 -0.214320
C 4.263187 -2.999036 0.331859
C 5.551558 -3.630558 -0.238257
H 0.807520 2.467703 -1.370924
H 1.076059 1.058167 1.362912
H -2.280536 -0.512174 -1.300419
H -1.275772 0.629741 1.392005
H -0.996019 3.809747 -0.294576
H -0.707007 2.971693 1.276868
H 3.226280 1.108528 -0.027183
H 2.323704 0.372509 -1.377651
H -2.209990 -1.839031 1.484706
H -1.039215 -2.164426 0.177106
H 2.813777 3.211528 -0.030756
H 1.784654 3.504851 1.383683
H -4.056904 0.894121 -0.423745
H -3.810241 0.348274 1.236240
H 1.808491 -1.627526 0.095162
H 2.749305 -0.899768 1.415815
H -2.761720 -3.168527 -1.246693
H -3.008324 -3.855025 0.365270
H -5.875826 -0.790600 -0.014214
H 4.826499 -0.928627 -0.049677
H 3.884169 -1.675183 -1.357740
H 2.374537 5.631808 0.102897
H 0.611967 5.388450 0.166572
H 1.510851 5.002067 -1.327835
H -5.295448 -3.136769 -0.380329
H 4.344405 -2.922522 1.435672
H 3.401303 -3.667295 0.130037
H 6.433019 -2.996931 -0.023413
H 5.740193 -4.629823 0.195853
H 5.482796 -3.746576 -1.336480


