%chk=000200913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200913

1 1
O -5.440343 -0.540333 -0.212212
N -2.561591 -0.208637 -0.019054
N 0.854375 0.676737 1.010255
C -1.425838 0.811558 -0.155434
C 1.746968 1.750379 0.458615
C -3.310668 -0.263165 -1.356024
C -3.530186 0.243191 1.075067
C -0.575531 1.011458 1.132340
C 3.214617 1.352944 0.717339
C 1.521098 2.096779 -1.029508
C -1.995690 -1.571436 0.302482
C 4.153082 2.486701 0.286654
C 2.473478 3.222533 -1.460731
C 3.938272 2.859687 -1.185429
C -4.610196 -1.077491 -1.249872
C -4.819223 -0.593420 1.078940
C 1.112121 -0.707031 0.671103
C 1.037978 -1.639072 1.725490
C 1.431975 -1.140218 -0.626551
C 1.282092 -2.989154 1.472264
C 1.678223 -2.495481 -0.863840
C 1.591517 -3.422755 0.177628
H -0.758646 0.488024 -0.991819
H -1.857463 1.789095 -0.468399
H 1.517527 2.665814 1.072449
H -3.565446 0.778627 -1.671858
H -2.649487 -0.685174 -2.146700
H -3.032290 0.197304 2.071102
H -3.794226 1.315776 0.901513
H -0.991855 0.413205 1.976784
H -0.659611 2.079364 1.450506
H 3.476927 0.424827 0.173617
H 3.360579 1.122468 1.791293
H 0.480808 2.413678 -1.207508
H 1.701576 1.201732 -1.662356
H -2.772119 -2.356145 0.304204
H -1.501668 -1.590528 1.295578
H -1.213043 -1.872715 -0.425241
H 5.205224 2.178849 0.447963
H 4.001087 3.375373 0.929759
H 2.215597 4.160567 -0.930755
H 2.336176 3.436885 -2.538157
H 4.593743 3.710000 -1.457985
H 4.250142 2.019935 -1.836196
H -4.433428 -2.155302 -1.082913
H -5.244191 -0.947583 -2.155424
H -5.594577 -0.139030 1.735685
H -4.654769 -1.641992 1.384880
H 0.844515 -1.295962 2.741954
H 1.546513 -0.416303 -1.438728
H 1.250293 -3.709409 2.292384
H 1.952298 -2.828156 -1.866744
H 1.791384 -4.478199 -0.010709


%chk=000200913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200913

1 1
O -5.558674 0.556043 -0.424817
N -2.823939 -0.395377 0.207862
N 0.999381 0.176574 0.485846
C -1.331655 -0.161655 -0.161133
C 1.714758 1.473021 0.233953
C -3.574241 -0.751011 -1.104563
C -3.430240 0.906028 0.777759
C -0.374861 0.258185 0.991335
C 3.161191 1.513314 0.793981
C 1.651827 1.973458 -1.238539
C -2.932980 -1.546594 1.203492
C 3.743400 2.943893 0.662787
C 2.249360 3.397982 -1.355535
C 3.691246 3.450464 -0.798153
C -5.100986 -0.742302 -0.929341
C -4.961299 0.828697 0.885974
C 1.545252 -1.113566 0.216729
C 1.030966 -2.274776 0.873549
C 2.597874 -1.308014 -0.726958
C 1.553766 -3.559017 0.605539
C 3.115656 -2.593309 -0.982381
C 2.599905 -3.734120 -0.325485
H -0.974488 -1.114565 -0.590319
H -1.321407 0.611689 -0.948030
H 1.152738 2.222636 0.832623
H -3.281787 0.017667 -1.839333
H -3.202379 -1.734646 -1.439966
H -2.963764 1.095469 1.758775
H -3.147104 1.708775 0.075708
H -0.524104 -0.373533 1.889042
H -0.572465 1.298943 1.296637
H 3.817464 0.807474 0.254667
H 3.149621 1.193613 1.852981
H 0.600125 1.973968 -1.592789
H 2.210027 1.289962 -1.905111
H -3.981805 -1.855097 1.309460
H -2.549258 -1.221780 2.181125
H -2.331464 -2.389492 0.829661
H 4.784894 2.949987 1.034146
H 3.171191 3.639269 1.311340
H 1.615252 4.112381 -0.789824
H 2.231417 3.724966 -2.412039
H 4.081229 4.483619 -0.855269
H 4.353742 2.824271 -1.429869
H -5.457804 -1.563434 -0.273545
H -5.572195 -0.866286 -1.917241
H -5.349385 1.811459 1.196717
H -5.289283 0.074898 1.632142
H 0.263504 -2.184964 1.650603
H 3.007213 -0.461058 -1.279599
H 1.150375 -4.423686 1.144878
H 3.926106 -2.702593 -1.711423
H 3.006186 -4.729030 -0.530349


