%chk=000194780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194780

0 1
O 0.018200 0.914373 0.186831
O -1.515473 -0.389946 1.348804
O 2.231576 -0.699620 -1.293393
O 1.761444 2.519343 1.265640
O 2.107051 -1.899818 0.693706
O -3.133491 2.247639 0.914631
O -4.081134 1.400541 -1.325220
O 4.258356 2.131968 -0.261038
O -3.650835 -1.458752 -1.477631
O -2.577331 -3.532893 0.037360
C 1.144347 0.221626 0.776815
C 2.283875 1.258065 0.855492
C -1.193272 0.933827 0.965810
C -2.190206 1.649098 0.023770
C -2.874978 0.700448 -0.983598
C 3.027718 1.432266 -0.489136
C -3.224218 -0.669790 -0.363408
C 1.430140 -0.973286 -0.164027
C -1.976466 -1.280257 0.304968
C 3.453712 0.059936 -1.060142
C -2.272135 -2.575488 1.074613
C 4.091229 0.162828 -2.431137
C 2.424466 -3.166353 0.078269
H 0.880437 -0.159125 1.793066
H 3.002512 1.000637 1.672148
H -1.052755 1.439973 1.947856
H -1.675654 2.479140 -0.521601
H -2.267247 0.568918 -1.909457
H 2.414896 2.008898 -1.215569
H -4.076674 -0.581891 0.348253
H 0.503925 -1.407847 -0.613153
H -1.147540 -1.429993 -0.434746
H 4.082220 -0.499010 -0.333300
H -3.128189 -2.471977 1.763283
H -1.381340 -2.920239 1.633685
H 3.358341 0.456781 -3.195030
H 4.893074 0.917016 -2.423055
H 4.520663 -0.793985 -2.749499
H 0.977670 2.759451 0.708186
H -4.013452 2.348038 0.454528
H -4.664921 0.808841 -1.860837
H 4.077441 2.955476 0.250954
H -3.533533 -2.431266 -1.283405
H 3.074106 -3.640526 0.822868
H 2.955620 -3.007391 -0.866947
H 1.507003 -3.741478 -0.073618
H -2.962080 -4.342697 0.431312


%chk=000194780-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194780

0 1
O 0.072641 0.972010 0.671838
O -1.396970 -0.901446 1.069502
O 1.778824 -1.237316 -0.541794
O 2.108275 2.844649 0.676514
O 2.909550 -1.245759 1.605545
O -3.353045 1.246997 1.909904
O -3.928023 1.980681 -0.665297
O 3.539656 1.875058 -1.641849
O -3.376826 -0.399730 -2.119895
O -2.588009 -2.926618 -1.754109
C 1.379334 0.520258 1.198856
C 2.410286 1.415690 0.493855
C -1.115240 0.494007 1.378471
C -2.251353 1.455063 0.974001
C -2.708209 1.184814 -0.469736
C 2.477400 1.087697 -1.013085
C -3.003390 -0.301470 -0.706271
C 1.673016 -0.969570 0.888386
C -1.754820 -1.140003 -0.355783
C 2.807880 -0.401731 -1.238153
C -2.004056 -2.651431 -0.422192
C 2.780214 -0.811987 -2.706472
C 3.267166 -2.672105 1.609999
H 1.404352 0.668913 2.296381
H 3.403755 1.265522 0.946877
H -0.966891 0.503488 2.474334
H -1.872722 2.494867 1.048276
H -1.919279 1.496864 -1.183287
H 1.491337 1.317662 -1.472903
H -3.839789 -0.624848 -0.049802
H 0.851941 -1.627990 1.225943
H -0.904660 -0.857399 -1.006774
H 3.798287 -0.608765 -0.785068
H -2.711366 -2.941512 0.380004
H -1.049101 -3.195718 -0.295100
H 1.767414 -0.676360 -3.126294
H 3.485423 -0.183240 -3.275419
H 3.066995 -1.871462 -2.821996
H 1.128529 2.945653 0.536015
H -4.153581 1.644681 1.471492
H -4.344336 1.665677 -1.509523
H 3.454708 2.799639 -1.286885
H -3.336511 -1.371401 -2.358207
H 4.212198 -2.742415 2.169448
H 3.404230 -3.050457 0.580015
H 2.484566 -3.270261 2.119486
H -2.692695 -3.897398 -1.895345


