%chk=000217109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217109

0 1
O -2.625828 -0.860394 1.896669
O 0.169010 -1.910132 -2.481898
O 5.894355 -0.923358 0.424388
N 0.394639 -0.633022 -0.544461
N -4.306949 -0.130806 0.559290
N -6.604532 -1.622735 -0.491590
C -1.923352 0.009625 -0.237784
C -0.499401 0.099021 0.408589
C -1.808143 -1.025402 -1.364329
C -2.954923 -0.400065 0.811626
C -0.319562 -1.272941 -1.573561
C -0.114587 1.546718 0.624623
C -4.858847 0.191042 -0.780762
C -5.319533 -0.703761 1.493415
C 1.813192 -0.719680 -0.330994
C -5.574154 -1.036918 -1.392027
C -6.034561 -1.913079 0.853931
C 0.502150 2.311841 -0.373287
C -0.421714 2.132561 1.863134
C 2.658912 -1.113448 -1.382234
C 2.358201 -0.413672 0.936914
C 0.816208 3.652863 -0.131317
C -0.109987 3.473360 2.098120
C 0.510495 4.235452 1.101989
C 4.038693 -1.201635 -1.182438
C 3.728069 -0.493514 1.142548
C 4.563684 -0.889642 0.076472
C 6.859106 -1.347483 -0.591257
C 8.183556 -1.279431 0.143746
H -2.193735 1.010004 -0.658413
H -0.495412 -0.456123 1.393870
H -2.298422 -1.988724 -1.113219
H -2.270846 -0.684734 -2.308262
H -4.068000 0.563532 -1.462539
H -5.578076 1.033880 -0.654746
H -6.041063 0.099745 1.753731
H -4.815552 -1.007153 2.443569
H -4.834641 -1.833766 -1.631332
H -6.057676 -0.761271 -2.353379
H -5.324630 -2.765525 0.751987
H -6.852066 -2.270379 1.515767
H -7.390952 -0.969333 -0.398057
H 0.751712 1.861113 -1.334228
H -0.906282 1.542391 2.642699
H 2.242964 -1.368783 -2.363408
H 1.714975 -0.110637 1.762992
H 1.304160 4.242092 -0.906341
H -0.347984 3.924768 3.060122
H 0.757347 5.278984 1.288810
H 4.674195 -1.512583 -2.005356
H 4.171507 -0.259703 2.108642
H 6.803570 -0.644451 -1.439735
H 6.600437 -2.370710 -0.913422
H 8.183572 -1.937844 1.024025
H 8.380619 -0.263873 0.515023
H 9.016383 -1.574683 -0.503615


%chk=000217109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217109

0 1
O -2.676508 -0.922938 1.968346
O 0.343322 -2.275563 -2.446354
O 6.081233 -0.755713 0.417078
N 0.483163 -0.813103 -0.565782
N -4.264243 -0.235216 0.416809
N -6.927521 -1.002772 -0.467385
C -1.853474 -0.341130 -0.265934
C -0.450708 -0.171862 0.408846
C -1.683046 -1.561434 -1.203853
C -2.956978 -0.516821 0.791036
C -0.183257 -1.602705 -1.516678
C -0.159980 1.298438 0.702375
C -4.727993 0.173507 -0.927578
C -5.353010 -0.381348 1.414707
C 1.904767 -0.803937 -0.359299
C -5.825109 -0.813407 -1.432123
C -6.433167 -1.361414 0.882785
C 0.393465 2.159908 -0.276702
C -0.524749 1.828974 1.964857
C 2.802194 -1.155887 -1.399694
C 2.438263 -0.445942 0.910421
C 0.583260 3.530617 0.004387
C -0.340643 3.201864 2.243946
C 0.215120 4.057349 1.264706
C 4.196237 -1.154327 -1.178821
C 3.824609 -0.440702 1.130529
C 4.715794 -0.794612 0.088532
C 7.048593 -1.120370 -0.635450
C 8.439470 -0.998774 -0.018380
H -2.039432 0.562785 -0.873470
H -0.460434 -0.741905 1.359010
H -1.949056 -2.508151 -0.695533
H -2.268273 -1.506484 -2.136634
H -3.887045 0.196179 -1.637465
H -5.152735 1.198385 -0.866823
H -5.804922 0.616639 1.596066
H -4.897528 -0.741991 2.351386
H -5.353158 -1.798280 -1.617340
H -6.237902 -0.451090 -2.390992
H -5.997931 -2.377826 0.833516
H -7.286909 -1.395951 1.582863
H -7.569753 -0.198796 -0.446509
H 0.696203 1.750981 -1.247596
H -0.960319 1.163387 2.720185
H 2.406885 -1.455087 -2.371605
H 1.776618 -0.165153 1.733488
H 1.025145 4.186244 -0.754519
H -0.624659 3.601420 3.224070
H 0.366394 5.120541 1.482878
H 4.857281 -1.436238 -2.003511
H 4.237195 -0.164624 2.105492
H 6.930276 -0.434778 -1.500158
H 6.849510 -2.157081 -0.977739
H 8.541390 -1.676736 0.846078
H 8.623213 0.033002 0.326708
H 9.211142 -1.262473 -0.764470


