%chk=000251249.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251249

0 1
O 4.378303 -0.043714 1.266494
O 3.427862 1.622542 0.063213
C -4.131833 -0.527790 -0.071349
C -4.538287 0.934770 -0.344842
C -5.325571 -1.305318 0.523495
C -2.921979 -0.604693 0.882301
C -5.757007 1.005808 -1.274847
C -6.546398 -1.237345 -0.404386
C -6.941975 0.215938 -0.701482
C -1.623383 -0.139329 0.211046
C -0.430080 -0.237278 1.171394
C 0.863829 0.231833 0.495809
C 2.058298 0.126514 1.450628
C 3.301456 0.687620 0.818156
C 6.033957 -0.503836 -0.460110
C 5.717068 0.316184 0.803551
C 7.501699 -0.942667 -0.444189
C 5.712557 0.293465 -1.725900
H -3.853854 -1.004415 -1.042797
H -3.690408 1.484896 -0.792972
H -4.764822 1.446885 0.609036
H -5.044012 -2.360280 0.693942
H -5.587002 -0.891831 1.515529
H -2.799532 -1.645878 1.238902
H -3.117357 -0.001080 1.788727
H -6.048069 2.060804 -1.432478
H -5.490804 0.608941 -2.273149
H -7.397405 -1.773165 0.055248
H -6.326695 -1.765919 -1.351748
H -7.300822 0.702182 0.225734
H -7.790485 0.239636 -1.409561
H -1.736105 0.904014 -0.144533
H -1.430325 -0.745945 -0.695004
H -0.626813 0.369530 2.076594
H -0.316901 -1.280282 1.525499
H 0.757975 1.280740 0.146531
H 1.057402 -0.367177 -0.416206
H 2.224706 -0.927049 1.763803
H 1.859190 0.685448 2.391263
H 5.385343 -1.418082 -0.437918
H 5.769375 1.405894 0.640837
H 6.330377 0.027557 1.674938
H 8.183938 -0.086187 -0.407350
H 7.749389 -1.510663 -1.348955
H 7.723895 -1.586286 0.413781
H 6.409147 1.125659 -1.875291
H 4.703876 0.731430 -1.675437
H 5.757585 -0.336681 -2.619346


%chk=000251249-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251249

0 1
O 4.463386 -0.108476 1.105389
O 3.380036 1.486645 -0.220818
C -4.325716 -0.447611 -0.155846
C -4.725376 1.051315 -0.188939
C -5.493913 -1.296760 0.412858
C -3.025048 -0.701829 0.647986
C -6.050845 1.285823 -0.953378
C -6.819263 -1.068632 -0.351374
C -7.201274 0.430091 -0.372442
C -1.749562 -0.063759 0.051489
C -0.470541 -0.444794 0.830977
C 0.805712 0.204122 0.252966
C 2.070637 -0.201632 1.034586
C 3.329165 0.499779 0.548034
C 6.619663 -0.548014 -0.056747
C 5.800122 0.463491 0.765755
C 8.059894 -0.005511 -0.225760
C 5.959899 -0.837388 -1.423218
H -4.150695 -0.774280 -1.206408
H -3.918778 1.653367 -0.649924
H -4.835912 1.412001 0.856757
H -5.219815 -2.370849 0.387532
H -5.639897 -1.031226 1.482090
H -2.867078 -1.798939 0.725906
H -3.166042 -0.335332 1.687601
H -6.319721 2.360092 -0.924964
H -5.906325 1.021170 -2.021819
H -7.631527 -1.665838 0.107672
H -6.707237 -1.429827 -1.395128
H -7.416695 0.765055 0.663880
H -8.128260 0.583468 -0.958915
H -1.846276 1.040373 0.038636
H -1.641641 -0.380879 -1.007142
H -0.589317 -0.143599 1.893438
H -0.360433 -1.549902 0.832229
H 0.708836 1.306229 0.264154
H 0.922241 -0.081608 -0.810824
H 2.240813 -1.293942 0.993313
H 1.951085 0.040592 2.110591
H 6.665197 -1.493220 0.521645
H 5.651148 1.407478 0.209483
H 6.281096 0.666602 1.738775
H 8.061033 0.946517 -0.790587
H 8.682158 -0.727359 -0.784619
H 8.545837 0.175973 0.751437
H 5.872516 0.088933 -2.021919
H 4.946206 -1.257794 -1.297476
H 6.559812 -1.564716 -2.000330


