%chk=000259469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259469

0 1
O 4.556044 -1.702222 -0.334528
O 0.240627 3.111273 -0.025390
O -1.278899 0.836579 0.285065
N 2.372081 0.118319 -0.074091
C 1.540127 1.162610 0.598616
C 3.764757 0.615181 -0.327874
C 2.417793 -1.147877 0.728142
C 0.697288 1.844145 -0.503828
C 4.539233 -0.472849 -1.088482
C 3.228775 -2.192580 -0.055604
C -0.496751 0.978276 -0.939955
C -2.457632 0.125060 0.224817
C -2.962307 -0.510887 -0.914823
C -3.131586 0.088352 1.463456
C -4.176581 -1.199401 -0.803423
C -4.335336 -0.604387 1.540811
C -4.862049 -1.249678 0.411263
H 0.860489 0.718312 1.359097
H 2.129315 1.937428 1.134033
H 4.307458 0.877759 0.606081
H 3.702983 1.537950 -0.942767
H 1.376446 -1.509124 0.871538
H 2.862745 -1.006307 1.736422
H 1.319312 2.119137 -1.388521
H 4.102800 -0.667730 -2.083749
H 5.613549 -0.235345 -1.178845
H 3.431472 -3.097979 0.542700
H 2.738424 -2.461920 -1.007508
H -0.173003 -0.020979 -1.280816
H -1.117161 1.482975 -1.698832
H -0.473330 2.990016 0.642608
H -2.441264 -0.481591 -1.864749
H -2.705610 0.595658 2.324123
H -4.586871 -1.700719 -1.680341
H -4.874645 -0.645825 2.487398
H -5.803890 -1.786830 0.485453


%chk=000259469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259469

0 1
O 4.525211 -1.783423 -0.478419
O 0.225635 3.206526 0.297175
O -1.290883 0.894795 0.399784
N 2.375179 0.094371 0.066260
C 1.655396 1.220433 0.707821
C 3.613256 0.520304 -0.637474
C 2.673608 -1.027113 0.995704
C 0.736483 1.962600 -0.295185
C 4.225552 -0.670148 -1.393977
C 3.293503 -2.197887 0.215440
C -0.420225 1.081046 -0.781594
C -2.471358 0.145737 0.249088
C -2.869095 -0.471302 -0.962296
C -3.273231 0.030783 1.411595
C -4.079741 -1.202623 -0.998117
C -4.475701 -0.701595 1.358470
C -4.887732 -1.322894 0.153483
H 1.024820 0.820155 1.523666
H 2.345728 1.971526 1.157221
H 4.367691 0.923374 0.083822
H 3.372772 1.325480 -1.356712
H 1.731949 -1.359664 1.471477
H 3.380645 -0.715941 1.804743
H 1.322875 2.287826 -1.173027
H 3.520150 -1.013049 -2.182000
H 5.190624 -0.397345 -1.852028
H 3.597315 -3.012831 0.893003
H 2.558289 -2.580718 -0.525378
H -0.029413 0.106917 -1.132734
H -0.991657 1.589757 -1.581940
H -0.521375 2.951800 0.900491
H -2.256166 -0.391968 -1.864718
H -2.941126 0.517043 2.334321
H -4.387620 -1.679096 -1.935729
H -5.093406 -0.787436 2.259377
H -5.823147 -1.890640 0.115884


