%chk=000205769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205769

0 1
O -4.712318 -1.274375 -1.324803
O -5.572637 -0.720878 1.200591
N 1.793276 0.937110 -0.863404
N 3.820399 1.946640 0.834063
N 4.205050 -1.963618 -0.718643
C -0.636294 1.331072 -0.699139
C 0.499935 0.336489 -0.401131
C -1.941496 0.804057 -0.170796
C 2.933429 0.103392 -0.531751
C -2.746619 -0.003641 -0.993758
C -2.348022 1.108534 1.134492
C -3.953671 -0.492696 -0.495531
C 3.902960 0.634328 0.373995
C -3.560000 0.620888 1.642990
C -4.357915 -0.176398 0.828386
C 3.141706 -1.184958 -1.050197
C 4.999343 -0.185016 0.731385
C 5.108541 -1.456708 0.163976
H -0.397374 2.318452 -0.249905
H -0.706618 1.524618 -1.789123
H 0.571184 0.154820 0.694440
H 0.279493 -0.646961 -0.869613
H 1.769030 1.103267 -1.877903
H -2.449114 -0.255162 -2.010382
H -1.719722 1.731314 1.768563
H -3.866108 0.864624 2.656870
H 2.432648 -1.628493 -1.759727
H 5.755520 0.173720 1.421604
H 5.949595 -2.115060 0.413464
H 4.317817 2.198984 1.670453
H 2.951075 2.444132 0.680877
H -5.550262 -1.569427 -0.865902
H -5.807929 -0.476050 2.127359


%chk=000205769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205769

0 1
O -4.712303 -1.475309 -0.999107
O -5.584524 -0.552651 1.381287
N 1.836582 0.743562 -1.109715
N 3.078415 1.403429 1.299961
N 4.800720 -1.604458 -1.175437
C -0.583000 1.298954 -0.805706
C 0.558488 0.305785 -0.473830
C -1.912252 0.859813 -0.209698
C 3.029414 0.044240 -0.716025
C -2.716256 -0.094514 -0.885480
C -2.348638 1.360659 1.042195
C -3.925556 -0.538203 -0.322452
C 3.643670 0.392823 0.534646
C -3.565491 0.920520 1.617002
C -4.347845 -0.026547 0.933931
C 3.655481 -0.936753 -1.515623
C 4.814400 -0.318196 0.913769
C 5.341511 -1.292727 0.040879
H -0.296450 2.300091 -0.433010
H -0.669872 1.381045 -1.908185
H 0.713526 0.258934 0.619391
H 0.266656 -0.717743 -0.799286
H 1.743175 0.817025 -2.131160
H -2.417079 -0.499672 -1.858074
H -1.741071 2.102616 1.572325
H -3.896150 1.319179 2.584485
H 3.215781 -1.202505 -2.487163
H 5.321127 -0.096913 1.860246
H 6.244315 -1.849345 0.318526
H 3.539013 1.735005 2.143064
H 2.388583 1.997323 0.837726
H -5.521147 -1.666129 -0.454468
H -5.848322 -0.182336 2.256787


