%chk=000259139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259139

0 1
O -0.826339 0.721022 1.109907
O 0.058728 -2.721399 -0.064304
O -2.876838 -2.087764 -0.828438
O -4.217123 -0.587542 0.654876
O -1.322913 1.088265 -1.592545
O 2.315033 -1.697229 1.475436
O 4.981672 1.336467 -0.691477
N 1.280442 0.041825 0.374971
N 3.680281 -0.163510 0.399516
N -3.553999 1.390256 -1.275130
C -0.657016 -1.495091 -0.056618
C -2.110475 -1.836518 0.359591
C -0.025815 -0.454278 0.897514
C -2.845500 -0.648116 1.023217
C -2.184517 0.703717 0.655356
C -2.284486 1.048782 -0.841060
C 2.448776 -0.682053 0.804937
C 1.379622 1.166283 -0.462529
C 2.592542 1.627911 -0.850634
C 3.843335 1.017592 -0.440953
H -0.636299 -1.143468 -1.125691
H -2.130735 -2.748718 0.999027
H 0.143612 -0.874567 1.929616
H -2.859532 -0.757364 2.136291
H -2.614461 1.540685 1.267887
H 0.736444 -2.779430 0.665456
H -2.560834 -2.913233 -1.267524
H -4.399770 -1.159933 -0.147135
H 0.419107 1.626596 -0.772554
H 4.528029 -0.663634 0.706972
H 2.686580 2.495514 -1.508204
H -3.709937 1.573906 -2.257357
H -4.377413 1.196525 -0.716319


%chk=000259139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259139

0 1
O -0.869220 0.735091 1.145495
O -0.111710 -2.689834 -0.311193
O -2.895165 -2.725056 -0.103128
O -4.273862 -0.646275 0.210535
O -1.229767 1.827110 -1.416205
O 2.183461 -2.035766 0.904596
O 5.106624 1.291311 -0.594999
N 1.275805 0.037732 0.274174
N 3.605131 -0.326713 0.176778
N -3.478364 1.239183 -1.496846
C -0.807986 -1.432261 -0.072141
C -2.106720 -1.777791 0.682879
C -0.046037 -0.429761 0.819898
C -3.012193 -0.526670 0.944476
C -2.243914 0.800844 0.594915
C -2.257613 1.305127 -0.883812
C 2.356478 -0.841565 0.477221
C 1.461130 1.309864 -0.277188
C 2.711520 1.779046 -0.599550
C 3.906773 0.976636 -0.367141
H -1.030493 -0.981880 -1.057179
H -1.823087 -2.245007 1.646885
H 0.206872 -0.935814 1.774010
H -3.251071 -0.477728 2.021341
H -2.689377 1.619716 1.187739
H 0.760011 -2.707120 0.205363
H -2.266682 -3.397040 -0.478309
H -4.258766 -1.570188 -0.187581
H 0.535847 1.865827 -0.457227
H 4.400964 -0.957626 0.320207
H 2.836268 2.768225 -1.040380
H -3.576758 1.637607 -2.431330
H -4.217898 0.672276 -1.050206


