%chk=000240142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240142

0 1
O -1.532440 1.276438 1.037936
O -1.357216 0.553137 -1.186489
C -3.573449 0.507678 -0.109904
C -2.958429 1.470719 0.938261
C -2.773250 0.704348 -1.422509
C -5.049691 0.903433 -0.334756
C -3.404506 -0.954637 0.358946
C -0.830886 1.457488 -0.202219
C -5.761247 0.067015 -1.393943
C -4.176441 -1.308336 1.625514
C 0.601805 1.022269 0.047580
C 0.783390 -0.257471 0.810191
C 0.693323 -1.464731 -0.136796
C 1.601639 1.780826 -0.421372
C 0.723957 -2.786914 0.637736
C 0.638429 -3.992002 -0.309631
C 3.032037 1.463216 -0.251198
C 0.662870 -5.314840 0.453397
C 3.722455 1.912186 0.885471
C 3.709824 0.732356 -1.239527
C 5.083619 1.631075 1.028187
C 5.070865 0.455347 -1.088512
C 5.759891 0.903998 0.043110
H -3.290609 1.241037 1.967427
H -3.158296 2.529815 0.707519
H -2.957447 1.689642 -1.880870
H -2.965310 -0.092464 -2.162799
H -5.111553 1.974265 -0.613084
H -5.595191 0.813704 0.627064
H -3.698546 -1.640937 -0.458008
H -2.315084 -1.128168 0.523643
H -0.963125 2.501707 -0.549941
H -5.324440 0.202298 -2.389156
H -5.718666 -1.003939 -1.158437
H -6.820332 0.342469 -1.463769
H -3.980027 -2.345975 1.921124
H -5.258482 -1.206070 1.488541
H -3.883178 -0.672791 2.469785
H 1.754565 -0.260896 1.344676
H -0.001700 -0.330420 1.596812
H -0.240136 -1.387821 -0.736542
H 1.524816 -1.426451 -0.866194
H 1.420509 2.703123 -0.978912
H -0.112248 -2.819434 1.362452
H 1.648814 -2.850027 1.242640
H 1.477361 -3.961561 -1.032138
H -0.285473 -3.926865 -0.916944
H 1.584187 -5.426041 1.036383
H 0.601953 -6.168025 -0.230884
H -0.177499 -5.392400 1.152263
H 3.195059 2.475339 1.652673
H 3.171438 0.380596 -2.117509
H 5.618584 1.979187 1.910073
H 5.595822 -0.112827 -1.854514
H 6.819384 0.686932 0.157253


%chk=000240142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240142

0 1
O -1.530192 1.242554 0.888055
O -1.449193 0.042237 -1.202590
C -3.694425 0.601700 -0.221744
C -2.928731 1.646144 0.639246
C -2.847568 0.414709 -1.512702
C -5.080528 1.213480 -0.585127
C -3.804256 -0.764532 0.518974
C -0.810009 1.083799 -0.382118
C -6.013500 0.308518 -1.421592
C -4.628489 -0.758819 1.824076
C 0.620188 0.682589 -0.083415
C 0.793157 -0.552514 0.781595
C 0.811395 -1.892812 -0.011050
C 1.606441 1.497243 -0.575915
C 0.908118 -3.119757 0.922482
C 0.931029 -4.462818 0.157265
C 3.077018 1.423155 -0.449692
C 0.998334 -5.688989 1.093615
C 3.816449 0.239942 -0.152511
C 3.816299 2.624378 -0.669021
C 5.223547 0.270400 -0.051804
C 5.221315 2.656475 -0.564565
C 5.935162 1.476328 -0.249796
H -3.376652 1.766859 1.638707
H -2.937952 2.633699 0.122622
H -2.850661 1.356802 -2.108467
H -3.223961 -0.409845 -2.139670
H -4.913251 2.162481 -1.137399
H -5.600899 1.496554 0.352154
H -4.239131 -1.506500 -0.180688
H -2.777125 -1.111953 0.736017
H -0.870000 2.049683 -0.941593
H -5.555936 0.022212 -2.386103
H -6.274236 -0.619840 -0.882616
H -6.957398 0.837003 -1.648669
H -4.640004 -1.769932 2.270734
H -5.679742 -0.461488 1.653698
H -4.199507 -0.076144 2.580077
H 1.717658 -0.467806 1.383685
H -0.052071 -0.586596 1.495096
H -0.107171 -1.951233 -0.622688
H 1.659906 -1.899994 -0.725493
H 1.265285 2.386936 -1.129628
H 0.046871 -3.113473 1.623351
H 1.819839 -3.041977 1.552716
H 1.798627 -4.474047 -0.533779
H 0.026506 -4.531378 -0.480843
H 1.907832 -5.657984 1.723263
H 1.014431 -6.635974 0.522947
H 0.124001 -5.716829 1.771241
H 3.297764 -0.713835 -0.034299
H 3.271031 3.544721 -0.913858
H 5.768418 -0.654159 0.171214
H 5.759756 3.596237 -0.731542
H 7.027912 1.493990 -0.171750


