%chk=000205984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205984

0 1
O 2.049805 -0.250058 -0.572016
O -3.631786 2.873206 -0.685995
O 2.028867 -2.952087 -1.525431
O 4.110773 1.908792 0.905796
N -3.220025 0.561007 -0.629725
N -4.807593 1.471657 0.789345
C -3.626306 -0.568783 0.258879
C -2.519669 -0.982798 1.247992
C -4.881464 -0.004387 1.000049
C -1.290461 -1.467114 0.530679
C -3.854836 1.771396 -0.233687
C -0.199796 -0.595407 0.354570
C -1.231923 -2.770340 0.029548
C 0.938897 -1.030915 -0.322602
C -0.092107 -3.217924 -0.645524
C 0.999630 -2.360689 -0.828860
C 2.106638 1.068586 0.059149
C 3.482221 1.588741 -0.355262
C 3.264268 -2.209893 -1.677226
C 5.481022 2.373632 0.774236
C 5.904612 2.652388 2.205091
H -3.898509 -1.435779 -0.393084
H -2.273432 -0.132702 1.919793
H -2.903589 -1.775952 1.922743
H -4.858202 -0.209756 2.090033
H -5.813296 -0.446301 0.595904
H -2.257618 0.582481 -0.962084
H -5.682514 1.988043 0.802943
H -0.253897 0.412733 0.757715
H -2.070758 -3.450548 0.162120
H -0.034214 -4.233987 -1.036426
H 2.037942 0.952221 1.158935
H 1.276823 1.680933 -0.328042
H 3.422364 2.499716 -0.974722
H 4.065726 0.810005 -0.882997
H 3.085889 -1.312033 -2.278831
H 3.674894 -1.952181 -0.695621
H 3.895996 -2.933203 -2.205054
H 5.492860 3.280681 0.145379
H 6.083447 1.578319 0.302099
H 6.938886 3.007574 2.256871
H 5.257086 3.409387 2.668637
H 5.819349 1.748838 2.824682


%chk=000205984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205984

0 1
O 2.180211 -0.695339 -0.489501
O -2.602877 3.182291 0.457539
O 1.853210 -2.941243 -2.214153
O 3.858286 2.205323 0.974893
N -2.866704 0.919334 -0.261838
N -4.167827 1.650235 1.406968
C -3.533547 -0.300727 0.227454
C -2.583195 -1.216841 1.063853
C -4.689663 0.311166 1.092610
C -1.385154 -1.693152 0.258333
C -3.149426 2.047807 0.524278
C -0.154796 -0.988971 0.316487
C -1.491082 -2.803699 -0.613856
C 0.952294 -1.377103 -0.475739
C -0.386350 -3.206508 -1.394106
C 0.840829 -2.512315 -1.337226
C 2.310507 0.507293 0.351507
C 3.716619 1.047088 0.093851
C 3.194520 -3.196772 -1.650329
C 5.147021 2.894581 0.800887
C 5.161599 4.086312 1.756629
H -3.942334 -0.887515 -0.615145
H -2.260336 -0.647357 1.955952
H -3.177122 -2.082967 1.416363
H -4.869064 -0.290098 2.002078
H -5.631348 0.360246 0.508319
H -2.036234 0.894216 -0.850817
H -4.661470 2.341889 1.965658
H -0.071047 -0.128989 0.988983
H -2.430625 -3.365670 -0.673428
H -0.446228 -4.067645 -2.067106
H 2.190446 0.248749 1.421617
H 1.549968 1.261454 0.071697
H 3.828731 1.337397 -0.972930
H 4.477144 0.270623 0.329309
H 3.642257 -2.270780 -1.254755
H 3.138294 -3.961151 -0.850830
H 3.785031 -3.583788 -2.494873
H 5.251652 3.227647 -0.255787
H 5.980437 2.191176 1.023692
H 6.110954 4.644291 1.662657
H 4.326783 4.771217 1.529836
H 5.055637 3.745794 2.800968


