%chk=000272653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272653

0 1
O -0.640483 1.547839 1.371547
O -0.065234 -0.807814 1.591646
O -2.037694 0.472214 -3.040303
O 0.867453 -2.277093 -2.749970
O -4.600714 0.033641 -1.779879
O -0.840425 -4.525956 -2.157843
O 5.861851 1.996292 1.487086
N 4.637379 3.350007 0.076286
C 0.101967 0.029051 -1.171792
C -1.212574 0.686499 -0.815868
C 0.123056 -1.394893 -0.661624
C 1.310736 0.862072 -0.787923
C -1.493000 1.353413 0.337420
C 0.010309 -1.784547 0.631651
C -2.249494 0.602148 -1.861180
C 0.298810 -2.440301 -1.703693
C -2.797683 2.006619 0.606008
C -0.002832 -3.197192 1.072868
C -3.892200 1.696861 -0.228161
C -0.154025 -4.206002 0.100361
C 1.364803 2.196407 -1.234451
C 2.394378 0.348577 -0.065481
C -3.710902 0.710757 -1.335909
C -0.301641 -3.829553 -1.339978
C 2.457661 3.005377 -0.942902
C 3.499163 1.145558 0.240633
C -2.960312 2.912082 1.659206
C 0.130790 -3.553127 2.420016
C 3.535340 2.478802 -0.195621
C -5.136529 2.287447 -0.000272
C -0.186099 -5.550874 0.479654
C -4.208378 3.511090 1.875380
C 0.111807 -4.901754 2.794594
C -5.291508 3.201733 1.050613
C -0.047856 -5.898554 1.828892
C 5.749217 3.051971 0.898750
C 6.758917 4.163614 0.972601
H 0.142610 -0.031338 -2.312702
H 0.537359 2.601590 -1.821242
H 2.395828 -0.691171 0.263504
H 2.475346 4.032960 -1.297795
H 4.334316 0.725866 0.812671
H -2.111941 3.145661 2.307707
H 0.256483 -2.781776 3.182100
H -5.982698 2.028861 -0.642898
H -0.322545 -6.322889 -0.284568
H 0.254600 1.084712 1.233027
H -0.245752 -1.165912 2.502056
H -4.330773 4.220974 2.694229
H 0.221970 -5.172748 3.845942
H -6.261985 3.667964 1.222871
H -0.066687 -6.948865 2.123418
H 4.597887 4.264172 -0.378289
H 6.341579 5.088885 1.390545
H 7.592731 3.864335 1.631424
H 7.199120 4.398508 -0.005862


%chk=000272653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272653

0 1
O -0.512721 1.981956 1.261854
O -0.410404 -0.974549 1.609143
O -2.352059 -0.666663 -2.341333
O 0.937828 -1.980733 -2.841205
O -4.847459 0.509556 -1.869581
O 0.827541 -4.730880 -2.303078
O 5.886485 2.236200 1.660107
N 4.722339 3.329309 -0.061738
C 0.030264 0.026499 -1.042314
C -1.310895 0.660133 -0.637318
C 0.133223 -1.444346 -0.642071
C 1.275467 0.868862 -0.711036
C -1.506839 1.567913 0.400249
C -0.133803 -1.926720 0.625148
C -2.461958 0.219527 -1.435530
C 0.557864 -2.379465 -1.701358
C -2.813516 2.188683 0.705299
C -0.115794 -3.360739 0.990965
C -3.964874 1.841684 -0.060366
C 0.197802 -4.330100 -0.009476
C 1.491772 2.072054 -1.438015
C 2.252248 0.492781 0.245241
C -3.856787 0.846539 -1.164482
C 0.546051 -3.900969 -1.397664
C 2.625622 2.866226 -1.207043
C 3.399815 1.279355 0.492074
C -2.937853 3.133101 1.753977
C -0.404611 -3.812637 2.304153
C 3.593854 2.480535 -0.237477
C -5.215450 2.438082 0.227407
C 0.200629 -5.707620 0.307029
C -4.189774 3.724302 2.033046
C -0.402934 -5.190858 2.612508
C -5.332256 3.379400 1.271091
C -0.102701 -6.144705 1.613031
C 5.788633 3.189320 0.832996
C 6.848527 4.284482 0.734856
H -0.007997 -0.024494 -2.151087
H 0.762765 2.377673 -2.197320
H 2.130809 -0.440756 0.803565
H 2.768818 3.786918 -1.787440
H 4.144047 0.977472 1.230696
H -2.051539 3.395747 2.336531
H -0.633162 -3.113996 3.120055
H -6.077536 2.146620 -0.381400
H 0.447099 -6.414974 -0.491528
H 0.361588 1.552140 1.036379
H -0.728377 -1.373043 2.456322
H -4.274598 4.455052 2.844600
H -0.632564 -5.517407 3.631942
H -6.300468 3.840959 1.490998
H -0.101998 -7.212334 1.853547
H 4.754752 4.145980 -0.675884
H 6.602322 5.087810 0.018704
H 6.995682 4.729576 1.733439
H 7.808582 3.827743 0.437291


