%chk=000238557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238557

0 1
O -3.207287 1.880985 -1.009422
N -0.247104 -1.064389 1.010804
C -1.845641 0.742145 0.586439
C -1.680389 -0.664702 1.273074
C -2.609312 -1.752568 0.717959
C -2.806040 0.803950 -0.618181
C -2.619116 -1.739303 -0.811551
C -0.454076 1.038545 0.057534
C -3.248625 -0.451362 -1.331853
C -2.292917 1.790296 1.608604
C 0.406584 0.045171 0.369441
C 1.846616 -0.042197 0.082969
C 2.658199 1.092980 0.243722
C 2.413482 -1.248588 -0.359496
C 4.025344 1.017382 -0.033511
C 3.781074 -1.316178 -0.636000
C 4.588227 -0.185470 -0.472581
H -1.857048 -0.568668 2.372234
H -3.632096 -1.602327 1.113221
H -2.280160 -2.745770 1.082434
H -3.168118 -2.615841 -1.203289
H -1.577930 -1.834498 -1.187875
H -0.258844 1.938473 -0.493869
H 0.239810 -1.452193 1.815455
H -4.357381 -0.505481 -1.268085
H -3.038965 -0.328913 -2.416908
H -2.445930 2.765967 1.118672
H -3.240687 1.519536 2.084271
H -1.541427 1.937283 2.391035
H 2.219959 2.030809 0.583953
H 1.780640 -2.126736 -0.494037
H 4.652992 1.898433 0.091212
H 4.218403 -2.251348 -0.982143
H 5.653662 -0.241021 -0.689031


%chk=000238557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238557

0 1
O -3.639372 1.898328 -0.590955
N -0.285729 -1.032695 1.080310
C -1.914093 0.747242 0.705720
C -1.738009 -0.728343 1.275972
C -2.610714 -1.786770 0.562618
C -2.955961 0.847819 -0.437099
C -2.470702 -1.645548 -0.965654
C -0.538377 1.026846 0.084107
C -3.109411 -0.314902 -1.425569
C -2.245965 1.764944 1.824489
C 0.352315 0.028083 0.396996
C 1.793717 -0.057206 0.079954
C 2.556430 1.118489 -0.163205
C 2.448880 -1.318873 0.025641
C 3.930516 1.033330 -0.464954
C 3.827330 -1.401643 -0.268047
C 4.574241 -0.227085 -0.515823
H -1.977933 -0.723849 2.357707
H -3.671094 -1.653170 0.862724
H -2.297986 -2.793121 0.899545
H -2.953866 -2.490967 -1.489419
H -1.396279 -1.675992 -1.224024
H -0.337007 1.903525 -0.531822
H 0.219610 -1.534285 1.814033
H -4.198570 -0.432325 -1.586976
H -2.696262 0.015148 -2.399100
H -2.293531 2.788734 1.418892
H -3.228784 1.542860 2.282379
H -1.467342 1.725107 2.607020
H 2.069807 2.097614 -0.094474
H 1.865044 -2.233288 0.179669
H 4.504293 1.948373 -0.649542
H 4.316752 -2.381121 -0.312132
H 5.643950 -0.290858 -0.743781


