%chk=000219562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219562

0 1
O 2.103922 0.361595 0.056451
O 0.841277 -3.097772 -0.054978
O 3.484298 -3.496552 0.235793
O 3.430038 2.355433 1.098921
N -1.155440 -1.052536 0.441271
C -0.187533 -0.158944 -0.270786
C -0.348546 1.286054 0.173790
C 1.200143 -0.709511 -0.032873
C 1.624779 -1.997180 0.032433
C -2.497293 -1.115162 -0.067376
C -1.010045 2.190992 -0.667758
C 0.121664 1.713224 1.424118
C 3.432969 0.077668 0.266150
C 3.084481 -2.358907 0.208034
C 3.931317 -1.169846 0.339290
C -1.192804 3.516338 -0.261823
C -0.059550 3.039713 1.823759
C -3.555409 -1.318844 0.842421
C -2.751045 -1.093317 -1.451474
C -0.717470 3.942735 0.982194
C 4.175160 1.388696 0.364627
C -4.849325 -1.511029 0.358271
C -4.054183 -1.283486 -1.914617
C -5.105552 -1.492057 -1.017250
H -0.377056 -0.234402 -1.384592
H -1.117340 -0.900028 1.458575
H -1.388896 1.867410 -1.636601
H 0.645434 1.015009 2.078517
H 4.990554 -1.366631 0.509094
H -1.708734 4.217272 -0.917165
H 0.313138 3.369631 2.793555
H -3.370613 -1.334005 1.913800
H -1.938859 -0.942840 -2.159990
H -0.859950 4.975945 1.296135
H 4.409207 1.782356 -0.646516
H 5.113148 1.287073 0.952885
H -5.667620 -1.674390 1.060180
H -4.250183 -1.271189 -2.987044
H -0.142068 -2.862179 -0.077390
H -6.117726 -1.640348 -1.385826
H 2.525610 2.469311 0.708095


%chk=000219562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219562

0 1
O 1.670522 0.288337 -0.723739
O 0.066655 -1.809862 1.881345
O 2.649852 -2.957146 1.710045
O 4.080976 1.835827 -1.382599
N -1.718760 -0.265531 0.620479
C -0.558923 0.583710 0.164858
C -0.481149 1.838944 1.043445
C 0.728325 -0.224990 0.186512
C 1.006681 -1.310165 0.999135
C -2.438602 -1.056317 -0.344205
C -0.970882 3.072434 0.547274
C 0.037408 1.775614 2.362608
C 2.950685 -0.281758 -0.773656
C 2.344519 -1.967836 0.972727
C 3.282843 -1.347698 0.021658
C -0.944119 4.231026 1.355984
C 0.057258 2.932311 3.172224
C -3.786848 -1.406287 -0.069166
C -1.823849 -1.524094 -1.533952
C -0.431609 4.162024 2.671776
C 3.817561 0.441441 -1.772327
C -4.508257 -2.212997 -0.972169
C -2.557945 -2.329777 -2.432408
C -3.899480 -2.679336 -2.161597
H -0.733371 0.906184 -0.883561
H -2.343249 0.270634 1.236043
H -1.368062 3.127033 -0.474074
H 0.434574 0.831763 2.752934
H 4.290436 -1.769222 -0.031932
H -1.317520 5.182135 0.961122
H 0.460108 2.876350 4.189271
H -4.266366 -1.051497 0.852025
H -0.779437 -1.284089 -1.755137
H -0.407818 5.059161 3.300033
H 3.348007 0.402744 -2.778098
H 4.805770 -0.039643 -1.818841
H -5.547691 -2.475910 -0.747242
H -2.072146 -2.689896 -3.346017
H -0.823409 -1.357143 1.633877
H -4.461141 -3.306284 -2.861524
H 3.212354 2.305110 -1.288831


