%chk=000195431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195431

0 1
O -3.338402 0.700153 1.821360
O 2.450573 -1.026851 1.143687
O 0.837692 -2.144824 -1.917641
O -1.824258 -2.299715 -1.846467
O -1.031959 2.764027 -0.768124
O 4.354596 -2.218619 0.838141
C 1.025932 -0.120845 -0.608781
C 0.273092 0.417478 0.636919
C -1.250178 0.632841 0.443502
C 1.292865 1.011350 -1.632627
C 2.383774 1.822036 -0.889848
C 0.998390 1.640008 1.250674
C 2.492021 -0.533566 -0.228901
C -1.919235 -0.438881 -0.400030
C -3.443602 -0.417614 -0.353260
C 1.703659 2.584374 0.262627
C -1.896860 0.582104 1.862076
C -3.850176 0.843740 0.479514
C 0.295384 -1.276258 -1.264358
C 3.303751 0.745562 -0.338400
C -1.727320 1.955529 -0.208412
C -1.197655 -1.306359 -1.131720
C -3.230988 2.121503 -0.104298
C -3.963465 -1.680322 0.344285
C -4.022286 -0.317784 -1.770002
C 4.589519 0.870719 -0.034536
C 3.448696 -1.888532 1.561911
C 3.175504 -2.275618 2.972989
H 0.360208 -0.410517 1.402332
H 0.395186 1.619794 -1.842293
H 1.654655 0.621669 -2.597901
H 2.912409 2.522816 -1.566125
H 1.765282 1.241605 1.951551
H 0.294148 2.228738 1.866765
H 2.885029 -1.346056 -0.884352
H 0.967150 3.297914 -0.166888
H 2.449128 3.193458 0.805820
H -1.706015 -0.384039 2.361575
H -1.560321 1.417236 2.500694
H -4.942079 0.919309 0.642936
H -3.461965 2.990456 0.547376
H -3.661025 2.379454 -1.091097
H -3.669489 -1.701016 1.401515
H -5.055363 -1.744422 0.306918
H -3.562125 -2.583245 -0.137269
H -3.621576 0.534277 -2.327344
H -3.768365 -1.221129 -2.349118
H -5.113210 -0.236837 -1.758283
H 5.190968 0.048338 0.337270
H 5.141039 1.792881 -0.140195
H -1.135728 -2.866131 -2.321375
H 2.291849 -1.768756 3.389891
H 4.037808 -2.035105 3.615703
H 3.008638 -3.362426 3.051212


%chk=000195431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195431

0 1
O -3.412438 0.773255 1.854127
O 2.470916 -1.042001 1.225218
O 0.887866 -2.085223 -1.905283
O -1.718797 -2.376489 -1.761358
O -1.150683 2.868502 -0.867440
O 4.250202 -2.460955 0.687164
C 1.044047 -0.030595 -0.569399
C 0.258198 0.580601 0.637550
C -1.287436 0.732857 0.436265
C 1.394436 1.051388 -1.651661
C 2.468475 1.885377 -0.901094
C 0.995219 1.838694 1.213710
C 2.493948 -0.460226 -0.151090
C -1.939654 -0.400267 -0.370498
C -3.474888 -0.450096 -0.324171
C 1.757087 2.730964 0.194049
C -1.940100 0.675753 1.871531
C -3.921240 0.821715 0.460144
C 0.303343 -1.194893 -1.196658
C 3.346733 0.804108 -0.275267
C -1.840602 2.013274 -0.260655
C -1.167992 -1.292582 -1.070967
C -3.366959 2.109661 -0.175142
C -3.959143 -1.728847 0.420813
C -4.091104 -0.435183 -1.754982
C 4.646763 0.910132 0.082978
C 3.391450 -2.064669 1.504582
C 3.187622 -2.600129 2.905837
H 0.332439 -0.195529 1.427627
H 0.521626 1.655274 -1.941093
H 1.818585 0.558912 -2.546202
H 3.036215 2.548102 -1.577878
H 1.728844 1.463487 1.951583
H 0.283628 2.470340 1.778333
H 2.853478 -1.252012 -0.836728
H 1.060440 3.424831 -0.304462
H 2.508757 3.329933 0.743225
H -1.659412 -0.291370 2.333827
H -1.559418 1.498387 2.505040
H -5.018140 0.848738 0.565442
H -3.627777 2.977764 0.460055
H -3.776306 2.313628 -1.180575
H -3.640495 -1.719904 1.476475
H -5.064357 -1.775697 0.400000
H -3.561700 -2.629904 -0.074199
H -3.721035 0.408282 -2.364109
H -3.833967 -1.367583 -2.281651
H -5.192888 -0.361346 -1.686043
H 5.199396 0.065424 0.507656
H 5.198946 1.847357 -0.055666
H -0.940054 -2.846447 -2.192043
H 2.408106 -2.041339 3.443136
H 4.139621 -2.543379 3.460727
H 2.905499 -3.666174 2.848821


