%chk=000201849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201849

0 1
O 3.080104 1.153352 0.925062
O -2.106053 1.162697 -0.170532
O -3.920588 -1.010283 -0.470105
N 2.971398 -0.535136 -1.420770
C 0.766836 0.732335 0.104416
C 2.026338 0.166971 0.845585
C 2.644578 -0.963284 -0.016931
C 1.141801 1.189108 -1.332946
C 0.251920 1.922439 0.945571
C 1.706615 -0.270904 2.289934
C -0.252366 -0.393501 -0.053852
C 1.635792 -2.128457 -0.121098
C 2.596277 0.886716 -1.718246
C -0.100816 1.505428 2.378153
C 1.096877 0.878466 3.102273
C 0.183440 -1.734715 -0.139458
C -1.632895 -0.145856 -0.193800
C 4.425859 -0.734994 -1.708271
C -0.743499 -2.783690 -0.274016
C -2.554768 -1.211699 -0.293339
C -2.112493 -2.536466 -0.330047
C -2.731776 1.585366 -1.434804
C -4.569628 -0.342435 0.646707
C -3.180920 3.004494 -1.150357
H 3.564558 -1.330200 0.506456
H 0.960474 2.272687 -1.452779
H 0.469690 0.694580 -2.063969
H -0.640744 2.374063 0.461747
H 1.023982 2.716048 0.958184
H 2.635239 -0.623896 2.776327
H 1.009502 -1.130226 2.284129
H 1.816422 -2.840203 0.709424
H 1.855752 -2.692830 -1.059072
H 2.720958 1.027555 -2.814513
H 3.273027 1.613548 -1.210137
H -0.944226 0.785506 2.350447
H -0.469851 2.381194 2.942984
H 1.867521 1.648541 3.300617
H 0.783873 0.505358 4.095848
H 2.767272 1.944917 1.410976
H 5.102995 -0.132353 -1.083206
H 4.619181 -0.490405 -2.764605
H 4.676295 -1.798552 -1.573835
H -0.387875 -3.811635 -0.337219
H -2.836607 -3.344115 -0.417017
H -1.965188 1.523993 -2.224501
H -3.570053 0.899495 -1.658606
H -5.589700 -0.206521 0.273655
H -4.082686 0.617722 0.855121
H -4.548564 -0.997943 1.520788
H -3.726357 3.425601 -2.002864
H -3.840609 3.044072 -0.273070
H -2.328614 3.661649 -0.934139


%chk=000201849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201849

0 1
O 3.137124 1.310668 1.015657
O -2.079141 1.173166 -0.368668
O -3.877952 -1.034914 -0.590359
N 2.692098 -0.400034 -1.408314
C 0.769404 0.817932 0.311388
C 2.088649 0.257675 0.955350
C 2.656573 -0.830028 0.022034
C 1.123512 1.513307 -1.059015
C 0.174689 1.880150 1.296902
C 1.862867 -0.269669 2.401312
C -0.196428 -0.373783 0.043693
C 1.753723 -2.077514 0.125452
C 2.457987 1.035172 -1.681403
C -0.061925 1.343743 2.725639
C 1.251653 0.802617 3.333499
C 0.273427 -1.724823 -0.004639
C -1.581334 -0.153737 -0.238195
C 3.846880 -0.947752 -2.135534
C -0.631711 -2.789663 -0.234987
C -2.489048 -1.241163 -0.381447
C -2.010916 -2.564572 -0.388133
C -2.649541 1.501021 -1.712045
C -4.574530 -0.365698 0.530867
C -3.041673 2.975671 -1.675541
H 3.681939 -1.071214 0.384689
H 1.181264 2.608492 -0.910418
H 0.296243 1.324583 -1.764696
H -0.757729 2.284005 0.876486
H 0.893162 2.727769 1.349088
H 2.834877 -0.627226 2.792973
H 1.168473 -1.127519 2.390931
H 1.943570 -2.624861 1.070946
H 2.022788 -2.769775 -0.694387
H 2.408637 1.154734 -2.782103
H 3.293085 1.669895 -1.308701
H -0.815829 0.531852 2.696445
H -0.481136 2.147587 3.361264
H 1.963243 1.641347 3.496299
H 1.073233 0.361621 4.332692
H 2.842471 2.003082 1.659769
H 4.823350 -0.504398 -1.814581
H 3.727943 -0.763468 -3.219455
H 3.908431 -2.041962 -1.986811
H -0.241285 -3.813177 -0.285515
H -2.724405 -3.382304 -0.528519
H -1.873353 1.304710 -2.478317
H -3.515999 0.843045 -1.907080
H -5.621954 -0.263432 0.207209
H -4.132581 0.626674 0.734681
H -4.522394 -0.994452 1.440419
H -3.474447 3.275297 -2.647697
H -3.794838 3.161751 -0.889897
H -2.163447 3.613173 -1.472926


