%chk=000236250.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236250

0 1
O 4.776138 -0.938619 -1.431100
O -0.492490 -2.295224 1.532757
O 1.655115 -0.855684 2.074505
N 2.650296 -0.031648 0.219229
C 0.144456 -0.306006 0.275669
C -0.928121 -0.971193 1.202745
C 1.522058 -0.436463 0.924616
C 4.000041 -0.278250 0.799012
C 2.688613 0.322045 -1.219696
C -0.214380 1.136103 0.020803
C 4.744747 -1.327304 -0.040755
C 3.464439 -0.756690 -1.998031
C -2.247932 -1.133339 0.481678
C -0.819692 1.500319 -1.191752
C 0.033552 2.114297 0.996031
C -3.166842 -0.074283 0.466745
C -2.558483 -2.338563 -0.162524
C -1.163526 2.834071 -1.427741
C -0.311225 3.446118 0.753009
C -0.907915 3.809297 -0.458647
C -4.386852 -0.221495 -0.198632
C -3.781473 -2.481874 -0.823215
C -4.695431 -1.423545 -0.844258
H 0.152122 -0.892207 -0.680511
H -1.033770 -0.385274 2.144605
H 3.900463 -0.615113 1.859378
H 4.557818 0.684818 0.807349
H 3.206161 1.306675 -1.318828
H 1.670571 0.458811 -1.638127
H 5.819645 -1.378109 0.210510
H 4.288172 -2.328892 0.043789
H 2.935443 -1.725315 -2.007905
H 3.696760 -0.439804 -3.030944
H -1.042669 0.743751 -1.942814
H 0.497615 1.837550 1.943726
H 0.256146 -2.246697 2.192050
H -2.930888 0.864442 0.966886
H -1.844442 -3.164767 -0.124082
H -1.635950 3.112723 -2.368832
H -0.114627 4.202893 1.511704
H -1.175293 4.847654 -0.645508
H -5.099376 0.601123 -0.210762
H -4.023308 -3.420751 -1.317875
H -5.647686 -1.536279 -1.358557


%chk=000236250-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236250

0 1
O 4.941638 -0.789533 -1.457435
O -0.533740 -2.327735 1.655400
O 1.642687 -0.818436 2.178550
N 2.637759 -0.219469 0.177038
C 0.123852 -0.340748 0.293624
C -0.965762 -0.995700 1.240146
C 1.520056 -0.483025 0.944838
C 3.988688 -0.301434 0.786108
C 2.660078 0.181038 -1.247139
C -0.197652 1.127675 0.007563
C 4.880800 -1.234793 -0.052005
C 3.590535 -0.765178 -2.036619
C -2.302317 -1.138169 0.523831
C -0.803020 1.515151 -1.213837
C 0.062607 2.122143 0.987042
C -3.263297 -0.099172 0.566845
C -2.590428 -2.315765 -0.210408
C -1.136335 2.866031 -1.458110
C -0.269964 3.473186 0.745040
C -0.869576 3.851133 -0.479369
C -4.489691 -0.226538 -0.124237
C -3.816334 -2.444712 -0.900555
C -4.768916 -1.398823 -0.863907
H 0.100635 -0.918330 -0.650396
H -1.073572 -0.330259 2.122108
H 3.873592 -0.669129 1.818766
H 4.431225 0.714123 0.810449
H 3.043474 1.218181 -1.321102
H 1.647625 0.168206 -1.675218
H 5.922027 -1.213067 0.307919
H 4.492150 -2.274570 -0.003355
H 3.164224 -1.792286 -2.045685
H 3.719131 -0.410063 -3.072258
H -1.035055 0.752673 -1.967830
H 0.528915 1.836443 1.938373
H 0.280275 -2.173785 2.215646
H -3.054251 0.811046 1.141551
H -1.862480 -3.132985 -0.198916
H -1.608321 3.147176 -2.406180
H -0.063212 4.230471 1.509851
H -1.127556 4.899361 -0.667024
H -5.226328 0.583705 -0.080138
H -4.034336 -3.363495 -1.457418
H -5.721830 -1.501241 -1.395850


