%chk=000246478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246478

0 1
O -5.253852 -2.003260 1.244088
O 5.254280 -2.003776 -1.240173
O -3.007138 -0.739559 0.180667
O 3.007048 -0.738917 -0.179190
N -6.987416 0.625691 -0.610860
N 6.986761 0.629428 0.609746
C -7.511231 1.700810 0.299087
C 7.510118 1.703035 -0.302249
C -8.411330 1.061187 -0.746293
C 8.410495 1.065775 0.744334
C -6.743506 -0.714286 -0.024755
C 6.743404 -0.711761 0.026193
C -6.945458 3.080428 0.094271
C 6.943772 3.082803 -0.100049
C -5.310977 -0.747632 0.539230
C 5.310891 -0.746772 -0.537731
C -4.246515 -0.715320 -0.568179
C 4.246413 -0.712768 0.569611
C -1.823823 -0.755998 -0.657449
C 1.823737 -0.754216 0.658954
C -0.677334 -0.755603 0.354829
C 0.677248 -0.755925 -0.353323
H -7.700025 1.463362 1.357485
H 7.698999 1.463653 -1.360196
H -8.641310 1.585864 -1.677733
H -9.236342 0.418042 -0.442185
H 8.640266 1.592317 1.674773
H 9.235772 0.422397 0.441439
H -6.859536 -1.468543 -0.836071
H -7.447810 -1.024956 0.779147
H 7.447838 -1.023672 -0.777114
H 6.859740 -1.464425 0.838944
H -6.056360 3.239831 0.718248
H -7.685144 3.849260 0.349039
H -6.635539 3.248507 -0.947605
H 6.054600 3.240648 -0.724317
H 7.683134 3.851458 -0.356287
H 6.633795 3.252733 0.941509
H -5.129445 0.063249 1.281008
H 5.129031 0.062607 -1.281065
H -4.309260 0.211694 -1.165702
H -4.297708 -1.598005 -1.226339
H 4.297949 -1.594178 1.229451
H 4.308794 0.215408 1.165368
H -4.313258 -2.220672 1.443389
H 4.313778 -2.221945 -1.439073
H -1.823938 0.142431 -1.297998
H -1.838348 -1.664505 -1.283169
H 1.823586 0.145330 1.297932
H 1.838529 -1.661625 1.286260
H -0.776461 -1.635772 1.021868
H -0.778140 0.127489 1.018843
H 0.777714 0.126109 -1.018792
H 0.776716 -1.637154 -1.018912


%chk=000246478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246478

0 1
O -5.177879 -1.840162 1.563407
O 5.177506 -1.840299 -1.560155
O -3.075579 -0.474662 0.408393
O 3.075064 -0.473688 -0.406818
N -7.210706 0.371474 -0.650633
N 7.210370 0.375539 0.649639
C -7.929215 1.472210 0.103995
C 7.928567 1.474925 -0.107257
C -8.693381 0.576500 -0.859609
C 8.693073 0.581141 0.857863
C -6.840310 -0.831734 0.146200
C 6.839938 -0.829240 -0.144802
C -7.560321 2.903212 -0.237454
C 7.559593 2.906525 0.231589
C -5.436904 -0.649610 0.740717
C 5.436366 -0.648430 -0.739324
C -4.350859 -0.511699 -0.331775
C 4.350487 -0.509218 0.333174
C -1.899523 -0.473672 -0.469790
C 1.899107 -0.472296 0.471503
C -0.651239 -0.466891 0.417752
C 0.650766 -0.466949 -0.415968
H -8.111573 1.273258 1.172438
H 8.110682 1.273981 -1.175368
H -8.979823 0.956562 -1.846120
H -9.381791 -0.164556 -0.428650
H 8.979709 0.963127 1.843576
H 9.381468 -0.160655 0.428158
H -6.841125 -1.710109 -0.526071
H -7.546609 -1.043662 0.982977
H 7.546047 -1.042688 -0.981352
H 6.841048 -1.706328 0.529150
H -6.650402 3.218572 0.306153
H -8.379288 3.596804 0.030389
H -7.361157 2.999796 -1.318889
H 6.649525 3.220779 -0.312409
H 8.378433 3.599699 -0.037722
H 7.360651 3.005105 1.312885
H -5.412266 0.260726 1.379305
H 5.411355 0.260933 -1.379279
H -4.497984 0.411921 -0.925450
H -4.366342 -1.392080 -1.011243
H 4.366383 -1.388587 1.013942
H 4.497443 0.415337 0.925434
H -4.201979 -1.831847 1.753724
H 4.201565 -1.832527 -1.750291
H -1.921888 0.425466 -1.124867
H -1.914930 -1.375165 -1.123106
H 1.921154 0.427516 1.125662
H 1.914960 -1.373121 1.125727
H -0.681777 -1.354628 1.079394
H -0.688254 0.424812 1.072960
H 0.687319 0.424162 -1.072004
H 0.681728 -1.355280 -1.076795


