%chk=000258238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258238

0 1
O 4.808824 -0.734265 -1.422353
O 4.956765 1.414025 0.438634
N 1.258715 -0.384842 -0.539455
N -1.685894 -0.104685 -1.114532
C 0.254177 -1.420393 -0.113718
C -0.999539 -1.423851 -1.026197
C 0.697844 0.590201 -1.530785
C -0.713938 1.037758 -1.119205
C -0.123007 -1.138402 1.358983
C 2.517151 -1.004983 -1.053993
C 3.678964 -0.002143 -0.905059
C -2.873120 0.088822 -0.345570
C 0.921922 -1.682352 2.328524
C 3.933207 0.393405 0.556797
C -3.378757 1.393136 -0.132767
C -3.637772 -1.015283 0.099841
C -4.607893 1.571571 0.501461
C -4.863304 -0.815228 0.730267
C -5.357023 0.476240 0.940258
C 5.395726 1.935012 1.705096
H 0.705165 -2.446145 -0.171378
H -0.707620 -1.697016 -2.067157
H -1.706203 -2.218771 -0.695186
H 0.685408 0.196027 -2.571165
H 1.371953 1.477222 -1.531198
H -0.664261 1.537245 -0.123800
H -1.093019 1.784236 -1.854370
H -1.113149 -1.580954 1.582766
H -0.241659 -0.046418 1.512340
H 2.756908 -1.918308 -0.463626
H 2.464811 -1.334816 -2.115205
H 3.548080 0.904880 -1.536914
H 1.008070 -2.772495 2.270151
H 1.912015 -1.258087 2.119516
H 0.667335 -1.428355 3.363869
H 4.316917 -0.446620 1.157561
H 3.029442 0.820317 1.027908
H -2.833538 2.267582 -0.473658
H -3.275029 -2.030271 -0.059256
H 5.636437 -0.243892 -1.213656
H -4.987331 2.581773 0.655600
H -5.441786 -1.676393 1.064147
H -6.311528 0.625705 1.434835
H 5.852092 1.145749 2.309458
H 4.564339 2.409143 2.235071
H 6.143802 2.681819 1.410921


%chk=000258238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258238

0 1
O 4.681534 -0.686308 -1.753315
O 5.283925 1.325634 0.047634
N 1.252582 -0.415858 -0.261372
N -1.681870 -0.097217 -0.391623
C 0.301964 -1.461428 0.253864
C -1.056491 -1.426703 -0.500499
C 0.583877 0.666172 -1.026449
C -0.767559 1.058309 -0.408833
C 0.097988 -1.344654 1.788226
C 2.435102 -0.963482 -0.968558
C 3.606902 0.030998 -1.050951
C -3.067620 0.080312 -0.273848
C 1.405585 -1.520219 2.583802
C 4.102426 0.491333 0.324142
C -3.613531 1.352634 0.090908
C -3.985081 -0.990957 -0.516898
C -5.006286 1.532980 0.210192
C -5.374263 -0.794760 -0.384996
C -5.904192 0.465290 -0.020916
C 5.969831 1.759048 1.262330
H 0.749492 -2.456931 0.049316
H -0.904628 -1.724801 -1.561975
H -1.720312 -2.179500 -0.039710
H 0.420829 0.373130 -2.095232
H 1.229812 1.564091 -1.035846
H -0.602359 1.468113 0.613160
H -1.206729 1.869150 -1.022593
H -0.637709 -2.113431 2.103128
H -0.352250 -0.361304 2.020558
H 2.796452 -1.854171 -0.424063
H 2.199126 -1.285997 -2.013224
H 3.326027 0.932528 -1.636708
H 1.843535 -2.524798 2.424581
H 2.146426 -0.766717 2.263068
H 1.232910 -1.397673 3.668603
H 4.393307 -0.387249 0.941335
H 3.321362 1.070936 0.856873
H -2.950168 2.195912 0.305621
H -3.618503 -1.970591 -0.839082
H 5.500584 -0.134495 -1.639090
H -5.391436 2.518916 0.496874
H -6.050043 -1.635435 -0.582878
H -6.984919 0.611246 0.075809
H 6.332132 0.892131 1.854476
H 5.304290 2.376097 1.901601
H 6.828646 2.366620 0.936358


