%chk=000212885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212885

0 1
O 4.735430 1.561855 0.420284
O -1.233716 0.316140 2.266923
O 4.291358 -1.578587 -0.300250
O -6.934607 -0.765187 -0.487271
O 3.758075 -0.486738 -2.211964
N -1.487646 0.367217 -0.026998
C 0.708762 0.742755 0.939715
C 2.851755 0.237823 -0.078758
C 1.492026 -0.046058 0.091030
C -0.742121 0.449499 1.162831
C 1.286914 1.804541 1.660340
C -2.890701 0.079637 -0.122481
C 3.411232 1.318916 0.633264
C 2.635585 2.105541 1.505907
C -3.677757 -0.216569 1.011002
C -3.468569 0.095348 -1.406708
C 3.661817 -0.585428 -1.013034
C -5.029911 -0.496184 0.861060
C -4.826601 -0.184756 -1.566439
C -5.589654 -0.477160 -0.429058
C 5.151987 -2.475313 -1.055076
H 1.050411 -0.894808 -0.440063
H 0.666487 2.390033 2.346829
H -1.017785 0.560349 -0.914176
H 3.083950 2.928171 2.056934
H -3.225362 -0.225046 2.011367
H -2.867704 0.324627 -2.285395
H -5.661017 -0.728168 1.718259
H -5.274713 -0.173930 -2.555239
H 5.074729 2.328413 0.954855
H -7.278136 -0.740459 -1.412394
H 6.054172 -1.932214 -1.352631
H 4.622450 -2.861359 -1.931995
H 5.370359 -3.263301 -0.326371


%chk=000212885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212885

0 1
O 4.901306 0.927681 1.082594
O -1.445207 1.455136 2.086843
O 4.829798 -0.878810 -0.861712
O -7.080540 -0.515038 -0.748868
O 2.769144 -1.584710 -1.663177
N -1.525901 0.191118 0.111712
C 0.652895 0.815486 1.062427
C 2.825294 0.029982 0.148889
C 1.405092 0.020708 0.172901
C -0.852896 0.847167 1.137722
C 1.357485 1.643529 1.977110
C -2.930803 0.034272 -0.070880
C 3.509184 0.879527 1.070267
C 2.757077 1.675133 1.978208
C -3.902234 0.567042 0.822233
C -3.362440 -0.693918 -1.210478
C 3.443943 -0.876861 -0.866016
C -5.271758 0.366116 0.568594
C -4.734013 -0.892630 -1.462570
C -5.693200 -0.360073 -0.568014
C 5.462898 -1.771353 -1.863219
H 0.944876 -0.670519 -0.543518
H 0.771645 2.246673 2.677744
H -0.951466 -0.226019 -0.623010
H 3.286250 2.323169 2.689445
H -3.569991 1.129046 1.696237
H -2.624278 -1.111587 -1.907172
H -6.029133 0.769694 1.246944
H -5.048266 -1.458665 -2.348680
H 5.213040 1.562657 1.778035
H -7.273495 -1.035787 -1.567418
H 5.158500 -1.480040 -2.882557
H 5.166836 -2.818621 -1.683905
H 6.541859 -1.629906 -1.712411


