%chk=000218430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218430

0 1
O -1.042016 -1.287687 -0.496539
O -0.227924 3.309653 0.645324
O -0.287907 -1.943498 1.542558
C -0.066034 -3.475614 -0.418138
C -0.151531 0.918497 0.104460
C 1.287420 0.690939 0.105694
C -1.152524 0.032320 -0.132863
C -2.490008 0.675766 -0.083974
C -2.266047 2.054860 0.221559
C -0.775373 2.278121 0.369370
C 1.987735 0.582600 -1.114787
C 1.987800 0.584282 1.328408
C -0.430343 -2.211776 0.384370
C 1.182846 -3.120234 -1.233302
C -1.236675 -3.862933 -1.325589
C 0.232814 -4.588881 0.591547
C 3.371413 0.364007 -1.106988
C 3.371747 0.367378 1.318135
C 4.066204 0.260364 0.105745
C -3.762890 0.183721 -0.268908
C -3.318080 2.932651 0.341438
C 1.262904 0.704663 -2.416980
C 1.252596 0.679012 2.623288
C -4.844059 1.090639 -0.146239
C -4.629251 2.429900 0.150742
C 5.546457 0.048727 0.112215
H 0.992620 -2.286881 -1.924254
H 1.520302 -3.973549 -1.831998
H 2.023311 -2.819064 -0.593140
H -2.137245 -4.108931 -0.751807
H -1.499637 -3.044851 -2.011718
H -0.988297 -4.737953 -1.937306
H -0.648041 -4.847945 1.191363
H 1.023029 -4.296988 1.297246
H 0.566112 -5.501328 0.084359
H 3.910362 0.287892 -2.046932
H 3.910380 0.288813 2.258783
H -3.939108 -0.864312 -0.501240
H -3.154145 3.984608 0.576600
H 1.902716 0.496918 -3.282735
H 0.404262 0.018648 -2.466760
H 0.866382 1.723862 -2.544730
H 1.903916 0.571154 3.498021
H 0.483106 -0.112755 2.689964
H 0.736318 1.646207 2.717736
H -5.859349 0.719531 -0.288959
H -5.473704 3.112403 0.241679
H 5.855499 -0.668558 0.884229
H 5.925593 -0.323552 -0.847670
H 6.068643 0.994753 0.321627


%chk=000218430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218430

0 1
O -0.987701 -1.250068 -0.622137
O -0.247783 3.329064 0.876672
O -0.099323 -1.973798 1.427411
C -0.155269 -3.545675 -0.512203
C -0.123169 0.950114 0.174802
C 1.343316 0.728615 0.203255
C -1.123848 0.078985 -0.201311
C -2.466125 0.714746 -0.177363
C -2.284144 2.057099 0.255977
C -0.805614 2.264493 0.497161
C 2.060400 0.568302 -1.022178
C 2.041063 0.702129 1.449490
C -0.365645 -2.229499 0.245182
C 0.795445 -3.285550 -1.717615
C -1.529808 -4.064187 -1.029273
C 0.477589 -4.571804 0.458950
C 3.461620 0.368111 -0.976844
C 3.439965 0.499603 1.447212
C 4.171988 0.332919 0.246405
C -3.740802 0.219046 -0.477890
C -3.365648 2.929720 0.399358
C 1.357031 0.645817 -2.368222
C 1.295469 0.856398 2.761606
C -4.849200 1.105645 -0.339499
C -4.668555 2.438420 0.091335
C 5.679789 0.150864 0.272469
H 0.338119 -2.592092 -2.443337
H 0.997864 -4.244168 -2.228984
H 1.759823 -2.859687 -1.386466
H -2.225558 -4.258395 -0.192856
H -1.995755 -3.337307 -1.715201
H -1.375036 -5.013303 -1.573794
H -0.173199 -4.751824 1.332009
H 1.452452 -4.216456 0.834858
H 0.631416 -5.529714 -0.069409
H 4.010816 0.252078 -1.919965
H 3.970159 0.469842 2.407716
H -3.885564 -0.813397 -0.811154
H -3.210400 3.958715 0.739734
H 2.084493 0.576557 -3.195085
H 0.618486 -0.166590 -2.497816
H 0.807883 1.599345 -2.479827
H 1.971976 0.711677 3.621155
H 0.479866 0.114308 2.834629
H 0.847601 1.863451 2.847964
H -5.857933 0.746222 -0.570999
H -5.536891 3.098490 0.190021
H 5.992374 -0.520662 1.092584
H 6.054753 -0.270014 -0.676804
H 6.193512 1.119013 0.431180


