%chk=000190928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190928

0 1
Br 3.485888 -4.264136 -0.371439
N -2.889468 -0.699161 -0.565879
N -0.701668 -1.113189 -1.582688
C -0.802573 0.086443 0.582451
C -1.532697 -0.118459 -0.816371
C -1.854577 -0.330337 1.638358
C -2.923353 -1.131584 0.869932
C 0.340458 -0.904534 0.523031
C -0.333855 1.534316 0.786478
C 0.293925 -1.627651 -0.709340
C -3.987691 0.245540 -0.910854
C 1.326200 -1.174759 1.451422
C 0.612569 2.014100 -0.271039
C 1.214453 -2.637570 -0.991008
C 2.273587 -2.183267 1.176655
C 2.194477 -2.884402 -0.021139
C 0.992880 3.293564 -0.413720
C 1.952889 3.704663 -1.487486
C 0.500455 4.397025 0.472240
H -1.566691 0.815397 -1.426164
H -2.301606 0.549557 2.130156
H -1.401909 -0.933711 2.442654
H -2.679549 -2.217244 0.877955
H -3.927101 -1.023518 1.317570
H -1.218600 2.203863 0.835208
H 0.160172 1.617607 1.779127
H -1.241043 -1.794266 -2.120746
H -3.917557 0.505880 -1.980120
H -3.997505 1.175781 -0.324221
H -4.954284 -0.265858 -0.769133
H 1.381521 -0.623689 2.388356
H 1.002593 1.237975 -0.932738
H 1.179254 -3.193087 -1.924310
H 3.053081 -2.399344 1.904708
H 1.511140 4.464654 -2.145686
H 2.867798 4.132956 -1.055680
H 2.261235 2.865291 -2.125123
H -0.586346 4.525774 0.378165
H 0.960728 5.364831 0.238759
H 0.716370 4.185152 1.528359


%chk=000190928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190928

0 1
Br 3.427166 -4.434243 -0.728329
N -2.840554 -0.352768 -0.493351
N -0.653116 -0.906987 -1.479816
C -0.705496 0.054428 0.746923
C -1.428473 0.065060 -0.681682
C -1.841957 -0.421597 1.715750
C -2.848531 -1.144817 0.776308
C 0.386542 -1.003540 0.581624
C -0.147941 1.455983 1.153977
C 0.339475 -1.541365 -0.738278
C -3.821786 0.757050 -0.526281
C 1.328425 -1.481904 1.500729
C 0.894073 2.006924 0.203287
C 1.232482 -2.560837 -1.148034
C 2.243365 -2.503990 1.120825
C 2.166359 -3.013893 -0.191074
C 0.867072 3.189467 -0.478093
C 2.019766 3.582723 -1.389793
C -0.254486 4.212852 -0.409244
H -1.404058 1.062537 -1.159393
H -2.323600 0.451480 2.197565
H -1.455114 -1.081503 2.511276
H -2.500256 -2.172602 0.562970
H -3.870841 -1.208407 1.186121
H -1.000391 2.152829 1.259522
H 0.297648 1.355519 2.166834
H -1.021537 -1.258150 -2.361545
H -3.722216 1.305479 -1.479445
H -3.724348 1.494971 0.306477
H -4.842306 0.337045 -0.488403
H 1.372565 -1.078698 2.519691
H 1.771099 1.358029 0.060550
H 1.208611 -2.979450 -2.157661
H 2.985751 -2.884861 1.826080
H 1.669551 3.737261 -2.430105
H 2.476091 4.539154 -1.064590
H 2.810022 2.812794 -1.404830
H -0.645597 4.429413 -1.423507
H 0.121474 5.174746 -0.006992
H -1.101335 3.894470 0.220637


