%chk=000226187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226187

0 1
O 5.395451 0.942124 2.156714
O 4.769554 -0.082882 -2.524589
O 6.451156 0.900818 -0.363387
O 0.692138 -1.541449 1.207762
N -5.534437 -0.316006 -0.421865
N 0.121880 0.135755 -0.274853
C -6.341671 0.851744 -0.884257
C -6.238572 -1.190508 0.553984
C -4.127449 -0.163815 -0.307125
C -6.627914 0.693873 -2.389773
C -6.327123 -0.598500 1.972840
C -3.450800 0.859410 -1.013223
C -3.354418 -1.099021 0.422962
C -7.431077 1.874015 -2.925367
C -7.039492 -1.553687 2.924008
C -1.308535 0.002266 -0.259730
C -2.062288 0.940649 -0.990127
C -1.967016 -1.020511 0.445190
C 1.026838 -0.646554 0.454420
C 2.466538 -0.250503 0.229461
C 3.022076 -0.323673 -1.040540
C 3.211467 0.167572 1.339347
C 4.551965 0.522353 1.157254
C 4.381103 0.027702 -1.218893
C 5.160029 0.458624 -0.126421
C 4.867229 0.991085 3.507887
C 6.144262 0.231516 -2.873047
C 7.475989 0.227303 0.419518
H -5.821709 1.815017 -0.686975
H -7.300045 0.907560 -0.324004
H -5.719938 -2.176958 0.580348
H -7.256788 -1.395009 0.154315
H -7.170809 -0.255386 -2.567869
H -5.675126 0.590538 -2.946819
H -6.853351 0.374882 1.948678
H -5.308964 -0.374612 2.351587
H -4.008448 1.591809 -1.593547
H -3.840392 -1.905355 0.971133
H -6.895679 2.822148 -2.800849
H -7.634909 1.755298 -3.996472
H -8.398718 1.972191 -2.420352
H -8.062670 -1.769457 2.595727
H -7.103317 -1.129520 3.933375
H -6.511681 -2.511148 3.008969
H -1.568303 1.737099 -1.544115
H -1.388666 -1.756977 1.015978
H 0.488773 0.877118 -0.875876
H 2.454434 -0.667256 -1.904267
H 2.743073 0.194764 2.319917
H 5.741261 1.339790 4.072782
H 4.557228 -0.006636 3.832733
H 4.048316 1.714031 3.567982
H 6.125814 0.119323 -3.963019
H 6.820010 -0.484904 -2.398664
H 6.386710 1.257160 -2.569507
H 7.350875 0.472950 1.481620
H 7.436395 -0.850681 0.253134
H 8.392942 0.669724 0.017109


%chk=000226187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226187

0 1
O 5.796155 0.111185 2.254886
O 4.589996 1.217743 -2.373076
O 6.598365 1.026390 -0.255306
O 0.748935 -0.844670 1.824866
N -5.578144 -0.046328 -0.194909
N 0.116934 0.397476 -0.065012
C -6.374991 0.742151 -1.150593
C -6.316176 -0.943823 0.711662
C -4.178258 0.055824 -0.146178
C -6.528424 0.082451 -2.546316
C -6.659685 -0.313597 2.086761
C -3.450537 0.844109 -1.094307
C -3.407335 -0.620458 0.852189
C -7.377614 0.946174 -3.502995
C -7.452190 -1.286571 2.985490
C -1.301392 0.256736 -0.044507
C -2.050504 0.941855 -1.036010
C -2.005117 -0.530253 0.904776
C 1.057301 -0.153437 0.797888
C 2.496710 0.139606 0.456615
C 2.936992 0.548621 -0.820046
C 3.441671 -0.044712 1.495708
C 4.804806 0.213148 1.264361
C 4.310773 0.791346 -1.068544
C 5.266423 0.639664 -0.023009
C 5.355147 -0.226482 3.613165
C 5.902610 0.951417 -2.988217
C 7.652324 0.019348 0.000709
H -5.937472 1.753936 -1.262133
H -7.382634 0.893352 -0.715746
H -5.743744 -1.879694 0.862854
H -7.258529 -1.240314 0.210021
H -6.994290 -0.914846 -2.420903
H -5.525840 -0.094402 -2.979577
H -7.246277 0.611364 1.919446
H -5.724761 -0.003968 2.590733
H -3.973452 1.376992 -1.893054
H -3.904846 -1.221826 1.618402
H -6.914189 1.938104 -3.664611
H -7.485753 0.461647 -4.489870
H -8.393637 1.113790 -3.097245
H -8.403148 -1.590137 2.507305
H -7.697772 -0.822686 3.957518
H -6.871449 -2.206165 3.189692
H -1.531691 1.555253 -1.785326
H -1.442904 -1.050898 1.682166
H 0.479722 1.010677 -0.797876
H 2.268747 0.634719 -1.683284
H 3.063489 -0.386096 2.462676
H 6.270851 -0.211481 4.222408
H 4.895199 -1.232265 3.648151
H 4.636255 0.523125 3.993934
H 5.746771 1.149637 -4.060478
H 6.201705 -0.104685 -2.843298
H 6.677093 1.614735 -2.574014
H 7.647590 -0.285257 1.059107
H 7.506600 -0.864449 -0.651873
H 8.596790 0.524128 -0.253973


