%chk=000250816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250816

0 1
O 4.823091 0.089027 0.123517
O -3.938942 -3.200523 -0.395022
O -6.100781 1.014426 -0.830181
O 4.793875 1.883051 -1.257062
C 2.315173 0.213961 0.040391
C 1.325907 -0.996123 -0.054088
C -0.019521 -0.614876 0.577776
C -0.623545 0.534742 -0.280121
C 1.749043 1.346506 -0.829279
C -2.046388 0.910007 0.241560
C 3.614818 -0.457225 -0.497637
C 0.340025 1.737968 -0.349869
C 2.135590 -2.180211 0.501501
C 3.573235 -1.920748 -0.005939
C 2.552285 0.702802 1.475391
C -0.975672 -1.762250 0.687632
C -2.935534 -0.340374 0.177952
C -2.631324 2.014729 -0.678145
C -2.305437 -1.628354 0.541350
C -2.018437 1.395107 1.699716
C -4.116536 2.267701 -0.436222
C -4.228915 -0.267055 -0.179572
C -3.199601 -2.824210 0.776120
C -4.927840 0.989979 -0.519981
C 5.321833 1.279311 -0.352468
C 6.548749 1.632918 0.414927
H 1.134286 -1.211571 -1.137857
H 0.160974 -0.235894 1.622035
H -0.751997 0.144594 -1.322578
H 1.719912 1.042905 -1.892716
H 2.425016 2.225531 -0.805163
H 3.729396 -0.355636 -1.593510
H 0.407617 2.225753 0.641778
H -0.067053 2.505941 -1.035486
H 1.750406 -3.148262 0.146228
H 2.103266 -2.211961 1.603373
H 4.318381 -2.070330 0.798134
H 3.848914 -2.615769 -0.814775
H 3.111556 -0.034088 2.064144
H 3.138100 1.628380 1.481563
H 1.609179 0.901537 1.997587
H -0.522979 -2.723422 0.936795
H -2.479549 1.729679 -1.739096
H -2.070199 2.958159 -0.532901
H -1.648835 0.619007 2.379270
H -1.375565 2.274061 1.816810
H -3.021675 1.672507 2.045355
H -4.510813 3.007103 -1.163234
H -4.286691 2.726771 0.559836
H -4.865351 -1.160991 -0.253888
H -3.999817 -2.601327 1.512529
H -2.635369 -3.713018 1.117787
H -3.356376 -3.206958 -1.181487
H 7.312138 0.842236 0.342980
H 6.331496 1.761645 1.486554
H 6.990583 2.569030 0.039881


%chk=000250816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250816

0 1
O 4.871758 0.226525 0.067606
O -3.705444 -3.307291 -0.925695
O -6.133413 1.031623 -1.186688
O 4.933566 1.271917 -2.026480
C 2.329910 0.250256 0.322905
C 1.329807 -0.946658 0.191796
C -0.069816 -0.584309 0.740770
C -0.631000 0.614209 -0.082884
C 1.779477 1.447009 -0.489946
C -2.119857 0.935939 0.315715
C 3.587632 -0.450192 -0.270631
C 0.338354 1.826990 -0.045875
C 2.109622 -2.161588 0.763240
C 3.595667 -1.875971 0.350304
C 2.605271 0.667394 1.791474
C -1.037997 -1.740525 0.731593
C -2.963369 -0.328005 0.041635
C -2.646993 2.115317 -0.553838
C -2.362707 -1.637106 0.385624
C -2.241955 1.292615 1.830081
C -4.174509 2.309567 -0.471791
C -4.247121 -0.251682 -0.458709
C -3.226286 -2.890707 0.410199
C -4.939779 1.015946 -0.748395
C 5.444419 1.061238 -0.903415
C 6.744354 1.641556 -0.388348
H 1.201073 -1.129851 -0.899555
H 0.061035 -0.268736 1.801068
H -0.669069 0.268776 -1.141782
H 1.771059 1.181289 -1.566636
H 2.442952 2.327418 -0.389169
H 3.507415 -0.475638 -1.374007
H 0.361299 2.266897 0.970528
H -0.030867 2.621041 -0.720362
H 1.747816 -3.120254 0.352590
H 2.007310 -2.218340 1.863186
H 4.271795 -1.889396 1.222876
H 3.977826 -2.619324 -0.370025
H 2.941044 -0.180246 2.413614
H 3.405568 1.427654 1.815129
H 1.713495 1.105585 2.270540
H -0.646652 -2.723252 1.033936
H -2.366839 1.925199 -1.610214
H -2.144073 3.051745 -0.249131
H -1.972175 0.438965 2.475961
H -1.586163 2.144301 2.087367
H -3.278610 1.574861 2.083666
H -4.523337 3.078295 -1.184273
H -4.471911 2.666100 0.535488
H -4.816063 -1.162786 -0.677033
H -4.157300 -2.725375 0.978293
H -2.663356 -3.717743 0.890132
H -2.928170 -3.360178 -1.538008
H 7.440104 0.830464 -0.112736
H 6.560098 2.237800 0.522334
H 7.199206 2.276561 -1.161835


