%chk=000270456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270456

0 1
O -3.116301 -1.491833 -0.636782
O -2.773547 0.555948 -1.562486
O 1.692128 1.229515 2.067580
O 3.648770 -2.864655 -0.511180
O -1.563833 1.223167 1.397717
O -0.206054 2.383301 0.161964
N -0.667501 1.347651 0.588422
C -5.171463 -1.143374 0.655032
C -4.703816 0.169393 1.305288
C -5.122981 1.441434 0.538336
C -4.576554 -1.348329 -0.746573
C -4.834501 -2.337861 1.553300
C -6.648550 1.592383 0.475516
C -4.492033 2.671124 1.203551
C 1.256714 -0.252344 0.257492
C 1.783648 -1.411753 -0.339287
C -0.908347 -0.768404 -0.739639
C -0.086978 0.074224 0.028579
C -2.345821 -0.436672 -1.026282
C 3.610374 0.464402 0.898509
C 4.141335 -0.668142 0.253113
C 2.145437 0.567570 1.164038
C 3.242943 -1.763411 -0.212715
C 0.965421 -2.260872 -1.091819
C -0.382552 -1.945373 -1.283660
C 4.458374 1.487694 1.328656
C 5.519693 -0.772037 0.048557
C 5.839699 1.386584 1.106019
C 6.367662 0.261842 0.471747
H -6.285446 -1.097192 0.524988
H -5.093014 0.220914 2.340453
H -3.598338 0.159324 1.414721
H -4.726231 1.373533 -0.508706
H -4.861373 -2.316149 -1.193898
H -4.816154 -0.514679 -1.432724
H -3.747524 -2.468975 1.640766
H -5.230186 -2.202720 2.565907
H -5.246967 -3.272196 1.160272
H -7.087940 1.653726 1.476823
H -6.929962 2.506409 -0.058904
H -7.118500 0.750787 -0.041509
H -4.869770 2.828189 2.218377
H -3.399318 2.568747 1.276171
H -4.693974 3.581247 0.630174
H 1.391331 -3.175543 -1.524000
H -1.031527 -2.616871 -1.855511
H 4.040183 2.359673 1.841507
H 5.928531 -1.662597 -0.438447
H 6.499480 2.190661 1.436776
H 7.443028 0.180346 0.305270


%chk=000270456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270456

0 1
O -3.122031 -1.394179 -0.778189
O -2.704441 0.831989 -1.364560
O 2.046510 2.250028 0.695981
O 3.612878 -2.957379 -0.145041
O -1.042417 2.091916 0.846525
O -0.141381 2.554640 -1.205287
N -0.390900 1.784174 -0.216451
C -5.319388 -1.243537 0.395973
C -4.918875 -0.062069 1.321506
C -5.304412 1.365392 0.843136
C -4.600711 -1.206921 -0.967747
C -5.106916 -2.604493 1.101216
C -6.838597 1.565290 0.793567
C -4.645971 2.419080 1.766299
C 1.435075 0.037750 -0.059740
C 1.844090 -1.322075 -0.205543
C -0.872466 -0.632243 -0.669853
C 0.077269 0.362065 -0.322519
C -2.304766 -0.287480 -0.972712
C 3.847902 0.662059 0.549121
C 4.261333 -0.687686 0.355825
C 2.419169 1.073175 0.406563
C 3.273479 -1.741285 -0.001058
C 0.904015 -2.319107 -0.552883
C -0.440537 -1.980037 -0.765943
C 4.805809 1.644786 0.901231
C 5.624912 -1.038207 0.516335
C 6.161073 1.290144 1.053605
C 6.571914 -0.054020 0.860956
H -6.399011 -1.149802 0.149333
H -5.388877 -0.232351 2.312806
H -3.823815 -0.102587 1.496110
H -4.893865 1.522775 -0.174648
H -4.900834 -2.060892 -1.598562
H -4.762624 -0.257281 -1.505552
H -4.043394 -2.746723 1.364498
H -5.699482 -2.655892 2.032227
H -5.413165 -3.449193 0.455361
H -7.283592 1.422349 1.797961
H -7.087918 2.588920 0.457924
H -7.334654 0.860128 0.100246
H -4.967109 2.278101 2.817390
H -3.543629 2.348747 1.727871
H -4.927562 3.444055 1.461515
H 1.257160 -3.350146 -0.644705
H -1.181630 -2.741786 -1.018472
H 4.462977 2.673456 1.049282
H 5.912984 -2.083426 0.366928
H 6.898523 2.053671 1.321974
H 7.625594 -0.326082 0.981699


