%chk=000229138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229138

0 1
O -3.581290 0.177367 0.728480
O -4.293482 -0.345445 -1.353271
C 2.987336 -1.333182 0.407494
C 4.118778 -1.146538 -0.628015
C 1.598960 -1.181704 -0.251672
C 4.370264 0.333997 -0.937935
C 0.476453 -1.786192 0.600257
C 3.123919 -0.356789 1.549837
C 4.752206 1.104306 0.335421
C -0.890596 -1.588160 -0.066233
C 3.899103 0.730867 1.511578
C -2.027437 -2.140122 0.802105
C -3.381718 -2.091149 0.085215
C -3.800337 -0.699838 -0.306845
C -2.880575 2.224619 -0.452676
C -1.434782 2.065724 0.027628
C -3.879180 1.591857 0.511072
C -0.435373 2.684976 -0.957095
C 1.004759 2.486078 -0.493140
H 3.075872 -2.370560 0.819934
H 5.046489 -1.601930 -0.230339
H 3.883536 -1.696029 -1.557072
H 1.395915 -0.098451 -0.434544
H 1.606297 -1.656321 -1.250701
H 5.168831 0.434344 -1.695330
H 3.461834 0.781324 -1.385639
H 0.474370 -1.321481 1.605709
H 0.665864 -2.864244 0.764907
H 2.522466 -0.595391 2.425199
H 5.814706 0.906303 0.591214
H 4.683747 2.194233 0.147965
H -1.061983 -0.496769 -0.245258
H -0.900716 -2.064820 -1.064153
H 3.967706 1.411018 2.359590
H -2.090644 -1.559248 1.746429
H -1.813070 -3.186665 1.094667
H -4.168979 -2.529365 0.736283
H -3.360510 -2.720096 -0.832217
H -3.129802 3.295825 -0.584196
H -2.999886 1.763870 -1.458012
H -1.212297 0.977494 0.159750
H -1.310814 2.517214 1.029556
H -4.917159 1.673072 0.143960
H -3.794977 1.976829 1.543443
H -0.644278 3.765901 -1.077970
H -0.569821 2.238359 -1.962111
H 1.186563 2.949762 0.482601
H 1.254852 1.412835 -0.389380
H 1.716878 2.920416 -1.202089


%chk=000229138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229138

0 1
O -3.590845 0.213877 0.584689
O -4.356687 -0.749504 -1.397498
C 3.047895 -1.475735 0.251641
C 4.108068 -1.088754 -0.817395
C 1.600361 -1.437247 -0.329167
C 4.221169 0.445033 -0.988816
C 0.493317 -1.840912 0.669963
C 3.199710 -0.605537 1.493242
C 4.663853 1.114989 0.333677
C -0.905671 -1.901558 0.016661
C 3.931868 0.540406 1.533676
C -2.033556 -2.165604 1.038876
C -3.446252 -2.185525 0.401886
C -3.844406 -0.873778 -0.260500
C -2.745074 2.122429 -0.792581
C -1.444355 2.348043 0.010166
C -3.911194 1.570812 0.039527
C -0.271927 2.820728 -0.879892
C 1.024193 3.082738 -0.082683
H 3.234379 -2.529117 0.557385
H 5.096467 -1.485752 -0.509720
H 3.854335 -1.565762 -1.784540
H 1.387238 -0.416668 -0.707658
H 1.561159 -2.117149 -1.206294
H 4.935690 0.689874 -1.797701
H 3.238929 0.856188 -1.294439
H 0.465890 -1.114581 1.506889
H 0.737250 -2.828002 1.117119
H 2.694491 -0.947565 2.407472
H 5.758334 0.986701 0.478418
H 4.494365 2.209671 0.283726
H -1.100496 -0.939380 -0.501053
H -0.918915 -2.685854 -0.768308
H 4.013741 1.093782 2.480577
H -2.005799 -1.388526 1.825120
H -1.861067 -3.140281 1.537691
H -4.199383 -2.410154 1.182942
H -3.523560 -2.970773 -0.370322
H -3.077310 3.084902 -1.234869
H -2.560170 1.437367 -1.642550
H -1.160729 1.409477 0.526770
H -1.626221 3.099770 0.806748
H -4.831028 1.494283 -0.567126
H -4.093357 2.174796 0.944366
H -0.570621 3.744384 -1.417477
H -0.080907 2.056651 -1.661609
H 0.863006 3.859788 0.688639
H 1.370800 2.166671 0.432387
H 1.841022 3.428462 -0.743650


