%chk=000240009.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240009

0 1
O -4.763944 0.296551 -0.801672
O -2.618347 -2.978936 -1.010026
O -4.481776 0.622124 1.423547
O -0.377274 0.412456 -1.479600
O 0.674131 -1.469895 1.624036
N -1.685317 0.848413 0.340249
N 0.447853 -2.982373 -0.071685
C -2.629217 -0.242475 0.026990
C -2.331851 -1.502147 0.858824
C -2.001084 -2.687805 -0.016267
C -0.808881 -3.541477 0.452136
C -4.036076 0.279439 0.354809
C -0.534634 1.031808 -0.439984
C 0.420050 2.041790 0.112173
C 1.115915 -1.949909 0.587238
C 2.405388 -1.543364 -0.052462
C 1.221883 1.702506 1.209751
C 0.527154 3.299433 -0.493687
C 2.134741 2.636914 1.705863
C 1.440307 4.229153 0.011918
C 3.606835 -1.840835 0.606058
C 2.410771 -0.854103 -1.270627
C -6.138831 0.763626 -0.712672
C 2.241958 3.898326 1.109994
C 4.820336 -1.455001 0.031956
C 3.629640 -0.467743 -1.836240
C 4.831627 -0.769978 -1.188838
H -2.566539 -0.479825 -1.083168
H -3.183832 -1.768546 1.521530
H -1.489221 -1.299105 1.572832
H -1.763422 1.269902 1.267517
H -0.932174 -4.587532 0.087901
H -0.771674 -3.587769 1.567393
H 0.730038 -3.292892 -0.998232
H 1.142425 0.707809 1.667576
H -0.093837 3.547895 -1.354648
H 2.764023 2.378967 2.556775
H 1.528578 5.210310 -0.451888
H 3.591405 -2.364618 1.562057
H 1.466914 -0.597297 -1.770372
H -6.545004 0.488855 -1.692587
H -6.134167 1.846782 -0.559339
H -6.659438 0.254502 0.104669
H 2.953570 4.624913 1.500864
H 5.757395 -1.684373 0.536749
H 3.637607 0.074466 -2.781446
H 5.779696 -0.468445 -1.633263


%chk=000240009-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240009

0 1
O -4.850472 -0.460542 0.980271
O -2.892269 -1.945606 -2.156585
O -3.922174 1.621112 1.447609
O -0.292516 0.228047 -1.584534
O 0.999313 -4.259147 0.341141
N -1.806002 1.194958 -0.113653
N 0.398452 -2.423584 -0.945942
C -2.804007 0.113420 -0.157689
C -2.221442 -1.309424 0.089986
C -2.043375 -2.067101 -1.234601
C -0.860586 -3.026664 -1.377018
C -3.890389 0.517937 0.845502
C -0.624515 1.194968 -0.809691
C 0.279356 2.384871 -0.624623
C 1.262697 -3.088614 -0.094934
C 2.530033 -2.366311 0.293934
C 0.185293 3.277482 0.476161
C 1.286594 2.592259 -1.602408
C 1.079363 4.364232 0.586964
C 2.176277 3.680406 -1.491984
C 3.486896 -3.102474 1.039005
C 2.800032 -1.009663 -0.030634
C -5.992680 -0.141153 1.877643
C 2.073628 4.571382 -0.397485
C 4.695036 -2.501039 1.447131
C 4.008476 -0.407398 0.383204
C 4.960275 -1.150037 1.119990
H -3.290029 0.065356 -1.159944
H -2.953812 -1.892987 0.681068
H -1.280872 -1.263857 0.660796
H -2.088689 2.006318 0.448940
H -0.824019 -3.354670 -2.432682
H -1.014508 -3.928526 -0.747589
H 0.575828 -1.470616 -1.284910
H -0.553598 3.121183 1.271294
H 1.348790 1.890863 -2.440959
H 1.005780 5.042849 1.443439
H 2.944560 3.836545 -2.256855
H 3.251432 -4.143299 1.284179
H 2.081419 -0.402968 -0.593927
H -6.629032 -1.035214 1.842247
H -6.526967 0.746650 1.501765
H -5.627305 0.053106 2.899306
H 2.764514 5.416964 -0.309158
H 5.427903 -3.081100 2.018831
H 4.203115 0.641503 0.132550
H 5.897897 -0.679919 1.437551


