%chk=000250818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250818

0 1
O -4.087187 -0.248587 -0.319520
O 6.408891 1.422042 -1.195249
O -4.178388 1.679160 0.862204
C -1.602639 -0.175275 0.040696
C -0.675361 -1.385835 0.397141
C 0.747243 -1.115738 -0.103478
C 1.286313 0.111433 0.695440
C -2.978344 -0.748260 0.496237
C -1.100180 1.045965 0.827182
C -1.455774 -2.610113 -0.110776
C 0.369700 1.336812 0.477847
C -2.933609 -2.260431 0.183483
C 1.696104 -2.307137 0.082484
C -1.654958 0.137899 -1.460688
C 2.736085 0.369267 0.356934
C 3.071567 -1.971293 -0.511144
C 3.534647 -0.582730 -0.163530
C 3.325032 1.710490 0.709596
C 4.989691 -0.322246 -0.432808
C 4.314632 2.180239 -0.358047
C 5.339927 1.126211 -0.706459
C -4.602792 0.994820 -0.039019
C -5.701464 1.285895 -1.027804
C -6.900522 1.913883 -0.331040
H -0.626336 -1.473175 1.513986
H 0.717976 -0.853703 -1.190340
H 1.258472 -0.144101 1.788336
H -3.212892 -0.516338 1.552179
H -1.208591 0.878783 1.915109
H -1.732770 1.930150 0.611233
H -1.147424 -3.535731 0.398146
H -1.292390 -2.773578 -1.189032
H 0.445078 1.674356 -0.573745
H 0.729405 2.185038 1.093590
H -3.581960 -2.486014 -0.683593
H -3.328833 -2.848407 1.026400
H 1.284032 -3.209131 -0.405425
H 1.795108 -2.558706 1.155105
H -0.649753 0.253958 -1.883543
H -2.160568 -0.657943 -2.019960
H -2.206789 1.064384 -1.649255
H 3.036421 -2.069260 -1.617195
H 3.814558 -2.718449 -0.166186
H 2.539018 2.481421 0.848633
H 3.834822 1.630385 1.693764
H 5.592056 -0.663582 0.440763
H 5.358916 -0.938843 -1.281736
H 4.828130 3.110183 -0.039442
H 3.772178 2.452955 -1.289754
H -5.297983 1.968820 -1.807265
H -5.995720 0.357130 -1.564023
H -6.605629 2.795313 0.257968
H -7.655818 2.236728 -1.057282
H -7.383826 1.211188 0.359582


%chk=000250818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250818

0 1
O -4.183653 -0.236892 -0.431970
O 6.801699 1.312454 0.385224
O -4.538123 1.161871 1.411267
C -1.631195 -0.234800 -0.287664
C -0.680572 -1.384660 0.182956
C 0.790070 -1.124345 -0.186443
C 1.250938 0.202060 0.497949
C -2.976875 -0.838743 0.208056
C -1.186943 1.076454 0.401397
C -1.387257 -2.680991 -0.297739
C 0.310322 1.388153 0.126799
C -2.913984 -2.346642 -0.167060
C 1.737038 -2.269168 0.226669
C -1.669292 -0.057069 -1.828397
C 2.748679 0.469499 0.251854
C 3.168612 -1.988387 -0.272880
C 3.610380 -0.543351 -0.071322
C 3.267764 1.890085 0.470961
C 5.114064 -0.339529 -0.226656
C 4.605816 2.174988 -0.260595
C 5.622309 1.080296 0.007651
C -4.875264 0.754270 0.276212
C -6.070290 1.234950 -0.535462
C -6.920931 2.277307 0.210859
H -0.728794 -1.387783 1.297884
H 0.875241 -0.998763 -1.287558
H 1.122727 0.045810 1.596871
H -3.070216 -0.683546 1.299745
H -1.343650 0.982546 1.495629
H -1.809424 1.929276 0.068162
H -1.104679 -3.558687 0.309039
H -1.118935 -2.910560 -1.346240
H 0.457798 1.659882 -0.937802
H 0.582126 2.282539 0.718575
H -3.451877 -2.508148 -1.117598
H -3.412381 -2.965768 0.598659
H 1.380947 -3.235629 -0.178439
H 1.734397 -2.360548 1.332374
H -0.697216 0.278516 -2.226592
H -1.943646 -0.990025 -2.350774
H -2.425216 0.702085 -2.096478
H 3.245207 -2.238061 -1.354253
H 3.887794 -2.662835 0.236167
H 2.527168 2.629935 0.120218
H 3.391807 2.080083 1.558487
H 5.671545 -1.015471 0.452600
H 5.431354 -0.641633 -1.251202
H 5.031272 3.151699 0.026577
H 4.406833 2.188861 -1.352551
H -5.685611 1.643057 -1.490457
H -6.670537 0.347885 -0.813645
H -6.317671 3.160986 0.480127
H -7.764950 2.607026 -0.420405
H -7.327221 1.859765 1.147920


