%chk=000231299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231299

0 1
O -1.459412 -0.466715 0.994920
O 1.326864 -2.147137 0.078304
C -1.940421 1.798192 2.459889
C 3.564005 -2.584971 -1.443945
C -2.749826 1.470508 1.223232
C 3.076616 -1.184057 -1.141660
C -2.490261 0.293127 0.476892
C 1.924472 -0.969287 -0.348495
C -2.853207 1.954917 3.683570
C -1.096155 3.058728 2.231708
C 4.977004 -2.799076 -0.884317
C 3.515787 -2.859947 -2.953207
C -3.773484 2.300800 0.767172
C 3.735712 -0.051624 -1.626857
C -3.220298 -0.046167 -0.663182
C 1.446387 0.307901 -0.050273
C -1.066844 -1.683665 0.292687
C 0.222530 -2.085721 1.007721
C -4.246745 0.814477 -1.093287
C 2.131022 1.423744 -0.555745
C -4.518430 1.984937 -0.376736
C 3.276947 1.238719 -1.342474
C -5.032750 0.463906 -2.315094
C 1.640353 2.804757 -0.266325
H -1.238502 0.944462 2.663761
H 2.878825 -3.318080 -0.937900
H -3.515084 2.822239 3.594020
H -2.267018 2.082772 4.599330
H -3.487913 1.070944 3.814712
H -0.408435 2.922209 1.378615
H -0.489665 3.293686 3.112131
H -1.716807 3.933577 2.014328
H 5.303266 -3.834781 -1.021917
H 5.010183 -2.577821 0.188645
H 5.713563 -2.153807 -1.373603
H 2.509261 -2.686795 -3.350425
H 3.788742 -3.896599 -3.174383
H 4.201894 -2.212761 -3.508942
H -4.000766 3.217562 1.313108
H 4.628230 -0.177423 -2.240881
H -3.011967 -0.950601 -1.222431
H 0.548786 0.448392 0.552967
H -1.878272 -2.420218 0.408971
H -0.889983 -1.463689 -0.776690
H 0.199639 -3.131859 1.369276
H 0.454475 -1.401304 1.847512
H -5.308167 2.655734 -0.702394
H 3.811528 2.098493 -1.735578
H -4.383405 0.403338 -3.200544
H -5.525956 -0.512465 -2.205935
H -5.817273 1.197666 -2.540910
H 0.751025 2.811937 0.393670
H 2.413436 3.410187 0.225854
H 1.354897 3.325359 -1.191366


%chk=000231299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231299

0 1
O -1.435944 0.268836 1.164152
O 1.702961 -1.382835 0.092785
C -3.071879 1.287906 3.191644
C 3.388653 -2.857482 -1.565303
C -3.580314 1.173295 1.752116
C 3.388985 -1.327065 -1.607939
C -2.722913 0.664516 0.730023
C 2.526370 -0.587391 -0.742819
C -4.199048 1.301319 4.248879
C -2.167165 2.544965 3.344735
C 4.207173 -3.360204 -0.340754
C 3.901039 -3.514807 -2.866664
C -4.872332 1.577629 1.352000
C 4.237888 -0.577520 -2.451066
C -3.143549 0.566797 -0.614031
C 2.521508 0.824854 -0.731231
C -0.535589 -0.342067 0.180905
C 0.723929 -0.730874 0.969901
C -4.446206 0.984114 -0.993937
C 3.390173 1.557469 -1.582131
C -5.305473 1.489910 0.006743
C 4.247447 0.837895 -2.444127
C -4.889277 0.881770 -2.444052
C 3.383472 3.077053 -1.556776
H -2.431488 0.404400 3.381671
H 2.340978 -3.178886 -1.405502
H -4.810804 2.221013 4.183837
H -3.762439 1.271768 5.264121
H -4.872348 0.431593 4.139119
H -1.327503 2.514196 2.629217
H -1.749709 2.600483 4.367845
H -2.749502 3.466923 3.159299
H 4.161180 -4.463327 -0.270027
H 3.809646 -2.936651 0.597373
H 5.268868 -3.064440 -0.435601
H 3.353491 -3.146078 -3.753374
H 3.767668 -4.610835 -2.811552
H 4.979689 -3.325365 -3.024780
H -5.564566 1.964801 2.107040
H 4.907457 -1.107350 -3.136808
H -2.471612 0.169124 -1.382245
H 1.852003 1.379579 -0.064379
H -0.998579 -1.244145 -0.265756
H -0.297226 0.375833 -0.628549
H 0.473337 -1.490062 1.727614
H 1.155490 0.148758 1.483276
H -6.317760 1.813823 -0.261185
H 4.922303 1.381231 -3.115490
H -4.263173 1.513252 -3.102840
H -4.811160 -0.156354 -2.818526
H -5.937041 1.205510 -2.566518
H 3.671579 3.465502 -0.561445
H 4.090059 3.492053 -2.295736
H 2.379653 3.482267 -1.785653


