%chk=000245932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245932

0 1
O -5.591041 0.409629 -2.168825
O -6.431011 1.823060 -0.185481
O -2.745002 -0.143361 -2.301229
O -4.570687 2.333835 2.023654
O 0.849677 -4.726404 -0.797467
O -0.860363 -5.016968 0.610458
O 4.481099 2.900803 2.524756
O 7.462118 0.221175 0.383953
O 3.825203 3.868356 0.598684
O 6.881385 2.362834 0.668427
N 1.059069 -2.159333 0.125170
N 0.042310 1.389566 0.100459
N 2.757202 0.962094 0.662178
C -1.297099 -0.636329 0.083519
C -1.374658 -2.031036 0.049004
C -0.022278 0.026767 0.127772
C -2.539013 0.155918 0.057710
C 1.156710 -0.812164 0.164446
C -0.143206 -2.757167 0.063202
C -3.278132 0.198961 -1.273390
C -3.010987 0.805752 1.128348
C 2.551226 -0.324501 0.243225
C -2.675734 -2.741251 -0.009322
C -4.679314 0.702610 -1.185841
C -5.147388 1.381145 -0.095388
C -4.279635 1.587310 1.118148
C 3.646744 -1.158290 -0.092760
C -0.127345 -4.243341 0.032777
C 4.023692 1.433362 0.752762
C 4.939969 -0.662816 0.003490
C 5.155535 0.665024 0.430106
C 4.093477 2.870032 1.213959
C 6.520919 1.219042 0.517532
C -5.164340 0.649171 -3.540621
C -7.005059 2.516648 0.958987
H -2.496062 0.795424 2.096425
H -2.644116 -3.727904 0.496640
H -3.501635 -2.189351 0.460487
H -2.970099 -2.938244 -1.055446
H 0.925660 1.887368 0.204047
H -0.788758 1.956705 0.086504
H 3.463174 -2.189807 -0.419222
H 5.803026 -1.291393 -0.249051
H -4.889379 1.697425 -3.672179
H -6.080036 0.402903 -4.092058
H -4.340632 -0.022959 -3.808041
H -6.458613 3.444864 1.155916
H -7.011540 1.868548 1.839539
H -8.021307 2.711922 0.592452
H 0.874476 -5.724807 -0.800906
H 4.590419 3.833818 2.868865
H 8.393378 0.576356 0.437826


%chk=000245932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245932

0 1
O -5.438014 1.077818 -2.257692
O -6.257961 2.255216 -0.075731
O -2.854425 -0.268662 -2.267530
O -4.634931 1.993694 2.372473
O 1.277254 -4.846055 -0.518999
O -1.002715 -5.098235 -0.802960
O 4.556909 3.157045 2.329394
O 7.460489 0.443923 0.631245
O 3.326742 3.869841 0.484037
O 6.647888 2.609407 0.400006
N 1.089247 -2.249450 -0.083261
N 0.034698 1.235510 0.472150
N 2.662604 0.968473 0.608686
C -1.316189 -0.786867 0.072851
C -1.358794 -2.179008 -0.176584
C -0.052959 -0.109954 0.250642
C -2.571080 0.022319 0.113183
C 1.149631 -0.920033 0.166190
C -0.099618 -2.879482 -0.255102
C -3.344447 0.185328 -1.181381
C -3.011414 0.667486 1.233524
C 2.514617 -0.370283 0.320633
C -2.686548 -2.890599 -0.323286
C -4.636520 0.913243 -1.144384
C -5.066064 1.567440 0.021041
C -4.269250 1.462399 1.267747
C 3.654529 -1.214892 0.174934
C -0.028995 -4.339353 -0.546217
C 3.907140 1.499823 0.730386
C 4.934059 -0.656581 0.273683
C 5.087104 0.734539 0.538171
C 3.908349 2.963198 1.112244
C 6.423483 1.382380 0.524497
C -5.330630 0.205612 -3.451233
C -6.756785 3.154686 0.991474
H -2.484845 0.596140 2.192006
H -2.709807 -3.817965 0.270947
H -3.525135 -2.245733 -0.012570
H -2.847844 -3.200593 -1.371019
H 0.999394 1.616423 0.587214
H -0.800363 1.817935 0.500388
H 3.482803 -2.273873 -0.030357
H 5.829133 -1.268582 0.137380
H -4.424003 0.439713 -4.028317
H -6.241166 0.441632 -4.022350
H -5.317368 -0.860149 -3.164984
H -6.005367 3.918949 1.249859
H -7.021856 2.586798 1.896321
H -7.645251 3.617249 0.536042
H 1.217745 -5.816464 -0.736427
H 4.595661 4.129675 2.538086
H 8.332866 0.919916 0.587151


