%chk=000196691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196691

0 1
O 2.131044 1.158292 1.646110
O -0.625775 -1.137622 2.321315
O -1.430392 -0.948117 0.191145
O -0.882179 2.568559 1.402329
O 1.052120 3.797733 0.269312
O -3.383061 -0.398478 3.256273
O -4.450205 1.584698 1.305766
O -2.799263 1.605223 -0.622102
O -1.993499 -1.557987 -2.998396
O 0.919253 -2.210996 -2.950977
N 2.822560 0.716773 -0.557869
N 1.940580 0.045733 -1.346166
N 4.032446 -0.879499 -1.578683
N 3.011311 -2.503216 -3.784664
C 0.708584 0.843573 1.804663
C -0.046398 1.631588 0.714117
C 1.028935 2.428083 -0.074934
C 2.371614 1.783757 0.389862
C -2.736013 0.018215 2.044460
C -1.827544 -1.136556 1.551050
C -3.906426 0.273609 1.078242
C -3.462587 0.346116 -0.400315
C 0.591390 -0.681297 1.698869
C -2.486763 -0.782904 -0.784895
C -1.709852 -0.497124 -2.086986
C 4.108725 0.133888 -0.693933
C 2.677364 -0.919998 -1.965147
C 2.105063 -1.922479 -2.914815
H 0.462528 1.212834 2.826185
H -0.665719 0.982601 0.044972
H 0.886993 2.414110 -1.178152
H 3.202607 2.505505 0.565342
H -2.148209 0.948008 2.238758
H -2.265947 -2.144145 1.707087
H -4.713467 -0.478518 1.241819
H -4.357044 0.318921 -1.070197
H 1.358241 -1.180557 2.326447
H 0.663267 -1.054153 0.658952
H -3.035295 -1.752478 -0.861936
H -2.068450 0.422872 -2.587300
H -0.618979 -0.423428 -1.892799
H -1.709886 2.709175 0.861033
H 0.577079 3.946632 1.139336
H -2.708257 -0.542205 3.960939
H -4.722372 1.672145 2.250092
H -3.446609 2.334093 -0.420976
H 4.989075 0.471804 -0.164668
H -1.219286 -2.180919 -3.031746
H 2.703132 -3.226433 -4.417925
H 4.007466 -2.349532 -3.712797


%chk=000196691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196691

0 1
O 2.322265 0.911004 1.692701
O -0.828323 -0.985082 2.423996
O -1.595142 -0.713757 0.177145
O -0.836192 2.419084 0.835230
O 1.480637 3.697019 0.758779
O -3.512595 -0.264492 3.380633
O -5.009372 1.366361 1.479066
O -3.148415 1.772545 -0.446404
O -1.691149 -1.740989 -2.706626
O 1.027243 -2.020487 -3.114264
N 3.127901 0.662002 -0.571123
N 2.152207 -0.050304 -1.264805
N 4.276232 -0.732141 -1.891989
N 3.215421 -2.580319 -3.690327
C 0.820908 0.802801 1.748965
C 0.287413 1.553938 0.498173
C 1.484896 2.437148 0.035392
C 2.712583 1.624158 0.485559
C -2.972259 0.082058 2.061072
C -1.992564 -0.998441 1.550451
C -4.185162 0.200280 1.130867
C -3.744643 0.419179 -0.328386
C 0.506296 -0.706896 1.846202
C -2.737341 -0.660487 -0.764173
C -2.165044 -0.477887 -2.180558
C 4.385043 0.235381 -0.954924
C 2.893313 -0.876792 -2.048227
C 2.279460 -1.863406 -2.986506
H 0.494377 1.322027 2.668373
H 0.021046 0.838272 -0.289306
H 1.475956 2.609121 -1.057980
H 3.579897 2.260689 0.723030
H -2.419565 1.041762 2.102671
H -2.454360 -2.009870 1.616628
H -4.781327 -0.733343 1.207171
H -4.631685 0.372386 -0.990963
H 1.199851 -1.159677 2.573713
H 0.618575 -1.196814 0.864547
H -3.264511 -1.640359 -0.747185
H -2.985861 -0.125000 -2.835313
H -1.380869 0.304507 -2.165783
H -1.641725 2.179970 0.267438
H 0.519994 3.852398 0.995908
H -2.750034 -0.353231 4.007861
H -5.150017 1.358444 2.460367
H -3.805048 2.379539 -0.005164
H 5.310512 0.631942 -0.546912
H -0.692860 -1.790022 -2.725652
H 2.907356 -3.287791 -4.355466
H 4.208580 -2.400530 -3.527804


