%chk=000225870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225870

0 1
O -3.624348 -1.011279 -0.836930
O -4.830616 0.477979 0.563215
O 3.928056 0.200646 0.259590
O 1.888519 -2.881833 0.516017
O 3.363602 2.116249 -0.797330
O 0.910694 -1.831551 -1.232020
C -0.812873 1.251902 0.009516
C -2.777012 -0.019489 -0.361823
C -3.503928 0.876234 0.481453
C -1.435410 0.137814 -0.615107
C 0.616600 1.505169 -0.238397
C -1.526404 2.132041 0.827320
C -2.904485 1.956306 1.088987
C 1.623332 0.689232 0.119500
C -4.946045 -0.720054 -0.275182
C 1.456075 -0.611168 0.839898
C 3.012722 1.115950 -0.213128
C 1.367429 -1.773980 -0.115710
C 5.326829 0.491365 -0.011420
C 1.868619 -4.128856 -0.229660
H -0.871668 -0.541754 -1.263185
H 0.829747 2.454608 -0.757355
H -1.017749 2.980792 1.285646
H -3.453383 2.640555 1.729727
H 2.300296 -0.775847 1.557273
H 0.534989 -0.602261 1.470795
H -5.229000 -1.558910 0.373940
H -5.622754 -0.484855 -1.107342
H 5.491569 0.515171 -1.093508
H 5.838254 -0.352102 0.464124
H 5.598683 1.449332 0.442824
H 2.459961 -4.017689 -1.144147
H 0.834845 -4.398471 -0.467010
H 2.326956 -4.833147 0.472330


%chk=000225870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225870

0 1
O -3.762792 -1.121142 -0.258170
O -5.048351 0.812520 0.361399
O 3.921188 0.039898 0.265409
O 2.243283 -3.025318 0.327608
O 3.308516 2.193225 -0.383798
O 0.924435 -1.983715 -1.279485
C -0.876216 1.279888 0.104450
C -2.910001 -0.010620 -0.031702
C -3.671530 1.123989 0.327823
C -1.524463 0.025776 -0.160254
C 0.578995 1.456303 0.013813
C -1.663126 2.425608 0.430284
C -3.072473 2.365966 0.559482
C 1.589071 0.559068 0.271482
C -5.141686 -0.629120 -0.009890
C 1.419937 -0.830511 0.862090
C 2.975061 1.047513 0.015135
C 1.491018 -1.960381 -0.161365
C 5.329832 0.417211 0.016414
C 2.343725 -4.203376 -0.570060
H -0.963379 -0.834863 -0.533431
H 0.918364 2.460125 -0.283447
H -1.155843 3.381413 0.601134
H -3.665715 3.246575 0.816547
H 2.194488 -1.017192 1.621882
H 0.431861 -0.900160 1.355695
H -5.578737 -1.186753 0.836066
H -5.731899 -0.719480 -0.937739
H 5.465443 0.712595 -1.037727
H 5.908705 -0.486232 0.254517
H 5.621215 1.260529 0.665239
H 2.834024 -3.917610 -1.515527
H 1.339740 -4.603736 -0.789937
H 2.949412 -4.929894 -0.011034


