%chk=000258768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258768

0 1
O 0.221813 -0.238759 0.682336
O -1.118834 -2.053651 0.193659
O -2.507203 2.722307 0.305495
O -4.515246 3.399868 -0.082332
N -1.894523 0.178446 0.199953
N -3.687676 2.510056 0.021496
C 1.508939 -0.991432 0.800837
C 2.431250 0.171962 1.283966
C 1.311245 -2.104489 1.838899
C 3.853176 -0.353906 1.568293
C 1.894361 -1.520323 -0.568776
C 2.411655 1.336114 0.313195
C 0.795533 -1.607273 3.195038
C 4.714338 0.695479 2.264390
C 2.721111 -2.646525 -0.693110
C 1.451841 -0.863554 -1.727311
C 1.446247 2.343027 0.485181
C 3.321311 1.435416 -0.749446
C 0.440069 -2.770657 4.116476
C -0.941020 -0.867630 0.337409
C 3.087199 -3.115894 -1.957788
C 1.815670 -1.336623 -2.990402
C 1.396624 3.430917 -0.388734
C 3.272816 2.528939 -1.619033
C 2.632870 -2.464939 -3.108672
C 2.312648 3.528934 -1.441375
C -3.252910 0.007442 -0.111285
C -4.116903 1.135400 -0.199614
C -3.796966 -1.283526 -0.346943
C -5.487439 0.941288 -0.520311
C -5.134132 -1.440898 -0.656079
C -5.992171 -0.322622 -0.745121
H 2.003614 0.537727 2.257870
H 0.596370 -2.854690 1.424391
H 2.262605 -2.655479 1.981299
H 4.336039 -0.672877 0.621845
H 3.796745 -1.261694 2.202131
H 1.556747 -0.964161 3.680335
H -0.094681 -0.963155 3.042956
H 4.303082 0.980162 3.239494
H 4.792306 1.613892 1.666613
H 5.732277 0.325728 2.430762
H 3.082493 -3.167156 0.192985
H 0.830519 0.030706 -1.638879
H 0.722645 2.269021 1.296339
H 4.065113 0.654673 -0.905346
H 0.074164 -2.409727 5.084750
H -0.347704 -3.401039 3.685483
H 1.304092 -3.415277 4.312206
H 3.725528 -3.993446 -2.045178
H 1.462803 -0.821995 -3.882969
H 0.639160 4.202143 -0.250121
H 3.985176 2.598488 -2.439057
H 2.914655 -2.834839 -4.092799
H 2.275527 4.378681 -2.119200
H -1.537691 1.157462 0.349746
H -3.141488 -2.164044 -0.284018
H -6.135220 1.825701 -0.584258
H -5.537499 -2.441012 -0.835374
H -7.043266 -0.465287 -0.990397


%chk=000258768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258768

0 1
O 0.165445 -0.255920 0.700777
O -1.152296 -2.132793 0.101954
O -2.473888 2.655550 0.424554
O -4.565654 3.438618 0.012914
N -1.976426 0.097496 0.195964
N -3.727962 2.461860 0.087231
C 1.486742 -0.997268 0.810817
C 2.447279 0.182453 1.273922
C 1.333098 -2.098235 1.898772
C 3.876609 -0.337037 1.592095
C 1.861356 -1.563996 -0.568662
C 2.437473 1.381803 0.317791
C 0.855395 -1.611702 3.285953
C 4.779415 0.740819 2.230665
C 2.679102 -2.716858 -0.691809
C 1.436423 -0.911615 -1.755478
C 1.509929 2.435333 0.529539
C 3.331541 1.490842 -0.778916
C 0.561678 -2.800234 4.227512
C -1.002267 -0.904711 0.307628
C 3.057138 -3.205831 -1.962278
C 1.805951 -1.403310 -3.024790
C 1.459266 3.553319 -0.331964
C 3.293538 2.611411 -1.638832
C 2.620477 -2.553008 -3.136511
C 2.355034 3.646343 -1.422531
C -3.320479 -0.047728 -0.153880
C -4.190222 1.101204 -0.212991
C -3.892296 -1.317659 -0.469977
C -5.557942 0.969372 -0.570302
C -5.245925 -1.430025 -0.820445
C -6.090622 -0.289195 -0.873878
H 2.006605 0.537017 2.226701
H 0.622797 -2.849530 1.510419
H 2.301494 -2.615442 2.024477
H 4.352024 -0.730153 0.673225
H 3.806208 -1.190780 2.292065
H 1.619587 -0.960154 3.753794
H -0.056601 -0.995073 3.172418
H 4.334348 1.127636 3.167107
H 4.926039 1.598499 1.552008
H 5.773490 0.324034 2.475751
H 3.019776 -3.252390 0.199695
H 0.816608 -0.012395 -1.685917
H 0.812714 2.371869 1.373075
H 4.061826 0.697431 -0.973178
H 0.227873 -2.451051 5.221560
H -0.231995 -3.447743 3.810597
H 1.462315 -3.426182 4.374804
H 3.686255 -4.100495 -2.032271
H 1.460929 -0.883856 -3.925716
H 0.724588 4.345649 -0.150669
H 3.994372 2.673258 -2.479397
H 2.907994 -2.935577 -4.122246
H 2.323631 4.513823 -2.091631
H -1.681399 1.072080 0.389899
H -3.244618 -2.195490 -0.433775
H -6.168669 1.875106 -0.598576
H -5.650779 -2.419767 -1.057673
H -7.144517 -0.388225 -1.149489


