%chk=000257196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257196

0 1
O 0.217865 0.351830 -2.068836
O 1.804012 0.551417 2.476208
O 3.049711 3.627925 -0.651080
N 1.596794 1.975080 -1.339493
N 2.415218 2.060958 0.916169
N -3.040318 -0.098441 0.610662
C 0.793158 0.210751 0.291991
C 1.269647 -1.258694 0.193469
C -0.646709 0.323910 0.852926
C 2.715002 -1.391396 -0.297225
C 3.159131 -2.871040 -0.366437
C 0.814857 0.804619 -1.118613
C 1.687258 0.909231 1.326932
C -1.700911 -0.464045 0.057689
C 4.460741 -2.985978 -1.170065
C 3.341728 -3.463142 1.035612
C 2.405907 2.638895 -0.380969
C -4.152424 -0.546816 -0.284785
C -5.498787 -0.270256 0.402537
C -6.672306 -0.623256 -0.520626
C -8.016176 -0.358700 0.154067
H 0.590120 -1.813799 -0.487492
H 1.162974 -1.735504 1.191983
H -0.952243 1.393222 0.889147
H -0.645459 -0.018193 1.911301
H 3.406528 -0.834365 0.363904
H 2.819290 -0.935152 -1.301345
H 2.367296 -3.455757 -0.898548
H -1.489131 -1.553498 0.099277
H -1.662548 -0.176947 -1.021195
H 1.583941 2.382488 -2.290111
H 3.004674 2.530494 1.624288
H -3.154387 -0.513487 1.541984
H 4.336294 -2.623798 -2.196172
H 4.796628 -4.027341 -1.231765
H 5.274076 -2.411739 -0.712949
H 4.122888 -2.939802 1.598904
H 3.629758 -4.518942 0.986673
H 2.421009 -3.401105 1.625615
H -4.079012 -1.618841 -0.568248
H -4.081415 0.039984 -1.228742
H -5.553022 0.798607 0.694688
H -5.576120 -0.841283 1.347019
H -6.609968 -1.686698 -0.824141
H -6.604146 -0.035583 -1.457721
H -8.125505 0.695072 0.436275
H -8.849623 -0.606708 -0.512939
H -8.136691 -0.955173 1.065479


%chk=000257196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257196

0 1
O 0.527894 0.245238 -2.225933
O 2.002932 0.486865 2.391465
O 2.519930 4.073556 -0.515830
N 1.450039 2.152055 -1.311234
N 2.209550 2.255812 0.922217
N -2.989995 -0.068517 0.516516
C 0.903373 0.222876 0.207591
C 1.343603 -1.271698 0.146785
C -0.582436 0.367107 0.743678
C 2.824267 -1.469791 -0.248116
C 3.226190 -2.958049 -0.435565
C 0.953514 0.837537 -1.199926
C 1.757767 0.964206 1.253707
C -1.661548 -0.417168 -0.032460
C 4.665711 -3.054040 -0.994016
C 3.098313 -3.768503 0.877459
C 2.084815 2.913151 -0.314294
C -4.138494 -0.610661 -0.246023
C -5.476727 -0.180663 0.385027
C -6.704197 -0.726595 -0.379418
C -8.043582 -0.289539 0.251848
H 0.701478 -1.784436 -0.591078
H 1.150015 -1.710994 1.141455
H -0.879648 1.433839 0.746554
H -0.561705 0.030390 1.799180
H 3.484657 -1.019374 0.521443
H 3.021879 -0.938727 -1.202633
H 2.536082 -3.401055 -1.185686
H -1.447303 -1.512090 0.009471
H -1.647042 -0.132030 -1.099970
H 1.398336 2.590089 -2.237074
H 2.707577 2.775720 1.652441
H -3.063050 -0.313301 1.515410
H 4.763333 -2.508070 -1.951096
H 4.955698 -4.106304 -1.170915
H 5.392282 -2.620144 -0.279902
H 3.729944 -3.325192 1.671465
H 3.427967 -4.813247 0.726382
H 2.058613 -3.798299 1.250113
H -4.113241 -1.727711 -0.329348
H -4.075200 -0.216036 -1.279793
H -5.512819 0.925515 0.420833
H -5.519023 -0.533101 1.438313
H -6.654267 -1.834166 -0.413438
H -6.660921 -0.380434 -1.432274
H -8.130247 0.813081 0.273319
H -8.905934 -0.685766 -0.315038
H -8.128775 -0.652332 1.293690


