%chk=000194403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194403

0 1
O -3.163998 -0.551196 0.737962
O -2.141018 -2.924671 -0.966536
O -2.084041 1.410080 0.100578
O -0.234051 1.168235 -2.307881
O 0.262518 -3.528769 -0.153741
O 1.801815 2.187817 -1.104530
O 2.281905 -2.637740 1.519939
O 3.969920 1.682190 0.677227
C -1.394151 -0.788687 -1.596853
C -1.374291 -1.831486 -0.463256
C -2.732198 -0.038018 -1.625987
C -3.129287 0.495442 -0.242682
C -1.971694 -1.336598 0.873013
C -0.244555 0.203941 -1.552504
C 0.073325 -2.334484 -0.185189
C 0.912140 -0.025862 -0.640217
C 1.069037 -1.275315 0.029825
C -4.516114 1.113591 -0.169439
C 1.854665 0.982979 -0.478276
C 2.177008 -1.449328 0.862142
C -2.142495 2.039118 1.410013
C 2.988877 0.783700 0.403962
C 3.137260 -0.426455 1.062834
C -0.695201 2.353997 1.744508
C 3.942688 2.984028 0.024051
H -1.300284 -1.358523 -2.568185
H -2.682747 0.799729 -2.354005
H -3.524648 -0.734757 -1.976252
H -2.330262 -2.188215 1.484179
H -1.234571 -0.727282 1.431146
H -4.856427 1.207360 0.871104
H -4.523484 2.111242 -0.624045
H -5.262919 0.493730 -0.681403
H -1.747599 -3.794145 -0.676020
H -2.758966 2.947273 1.295290
H -2.609297 1.347399 2.132844
H 3.991959 -0.579935 1.719790
H -0.618844 2.989914 2.632584
H -0.114729 1.440959 1.924756
H -0.207136 2.876024 0.908123
H 1.002959 2.236385 -1.774595
H 3.109782 -2.697193 2.067437
H 4.842979 3.452426 0.439059
H 3.031724 3.524486 0.302795
H 4.008445 2.859513 -1.062468


%chk=000194403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194403

0 1
O -3.239346 -0.638018 0.739246
O -2.191937 -2.921933 -0.925879
O -2.218263 1.476445 0.180510
O -0.230167 1.336448 -2.109092
O 0.186185 -3.630286 -0.001162
O 1.924073 2.108754 -1.193104
O 2.501120 -2.884902 1.333003
O 4.299716 1.451268 0.409034
C -1.353008 -0.733884 -1.531728
C -1.359064 -1.831469 -0.437608
C -2.728411 -0.026919 -1.611004
C -3.212046 0.471957 -0.235408
C -1.934516 -1.283647 0.906270
C -0.197821 0.246345 -1.415596
C 0.057639 -2.372073 -0.136603
C 0.990299 -0.079653 -0.606911
C 1.135184 -1.379808 0.009436
C -4.644024 1.008697 -0.264973
C 2.026255 0.906246 -0.533369
C 2.339276 -1.646178 0.714986
C -2.460690 2.130151 1.486461
C 3.212228 0.614415 0.227712
C 3.340714 -0.651627 0.828211
C -1.165687 2.846966 1.871273
C 4.264677 2.892659 0.064609
H -1.197998 -1.269519 -2.492283
H -2.661650 0.826621 -2.306029
H -3.467936 -0.752524 -1.988537
H -2.117148 -2.128422 1.589217
H -1.219695 -0.572707 1.366252
H -4.982616 1.279609 0.748749
H -4.704701 1.895286 -0.918910
H -5.323943 0.230652 -0.649273
H -1.717511 -3.762509 -0.655051
H -3.293371 2.855263 1.385639
H -2.746457 1.366762 2.237269
H 4.261910 -0.842902 1.391522
H -1.296573 3.387529 2.826780
H -0.336971 2.126267 1.987791
H -0.882136 3.575906 1.092375
H 1.013337 2.064428 -1.728403
H 3.369164 -2.928755 1.809030
H 5.225758 3.273045 0.442182
H 3.421382 3.394223 0.566807
H 4.178764 3.034695 -1.022345


