%chk=000274279.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274279

0 1
O 0.595624 4.028755 0.846325
O 2.723956 3.484660 0.454840
O 1.281948 -3.862124 0.293317
O 0.957164 -3.307837 -1.775551
N -0.184107 -0.766801 -0.139048
N 1.344302 -3.093814 -0.645168
C 1.839957 0.635563 0.067289
C 1.195815 -0.618384 -0.153394
C 0.982652 1.768067 0.291558
C -0.950389 0.302328 0.077157
C -0.382036 1.612672 0.292546
C 2.006906 -1.776802 -0.393206
C -2.420305 0.118476 0.082584
C 3.266542 0.690913 0.049909
C 3.379766 -1.697758 -0.396859
C 4.010465 -0.442524 -0.172550
C -3.020878 -0.750658 -0.842581
C -3.213169 0.804061 1.018641
C 1.573406 3.117043 0.517741
C -4.408752 -0.916522 -0.841020
C -4.598242 0.629514 1.015181
C -5.197653 -0.226783 0.084028
H -1.050744 2.467099 0.446298
H 3.762148 1.658648 0.214925
H 3.999946 -2.581591 -0.570262
H 5.101515 -0.398256 -0.182306
H -2.401596 -1.302584 -1.554306
H -2.752772 1.460017 1.756311
H -4.873147 -1.590766 -1.560303
H -5.213405 1.158372 1.741987
H -6.279089 -0.358928 0.084146
H 0.969269 4.942543 0.998772


%chk=000274279-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274279

0 1
O 0.603692 4.079180 0.996104
O 2.816690 3.442807 0.811450
O 1.826775 -4.096253 -0.473538
O 0.372192 -2.965631 -1.822565
N -0.190024 -0.713550 -0.200140
N 1.335841 -3.006519 -0.972875
C 1.876055 0.649322 0.100918
C 1.176648 -0.582501 -0.232076
C 1.030839 1.786511 0.409101
C -0.957684 0.360706 0.101505
C -0.359805 1.634646 0.391179
C 1.975654 -1.734958 -0.558851
C -2.431380 0.156933 0.109539
C 3.307810 0.664246 0.110623
C 3.369260 -1.711031 -0.506542
C 4.033375 -0.496594 -0.177635
C -2.962709 -1.053872 -0.417378
C -3.327728 1.131986 0.628368
C 1.603809 3.127770 0.744000
C -4.352877 -1.278654 -0.428481
C -4.719393 0.902366 0.618320
C -5.238093 -0.302022 0.088736
H -0.981264 2.505237 0.602070
H 3.822743 1.596221 0.351712
H 3.930378 -2.623181 -0.728788
H 5.127246 -0.473487 -0.157201
H -2.262926 -1.796622 -0.812590
H -2.952206 2.066652 1.058506
H -4.748298 -2.212889 -0.841514
H -5.398068 1.659348 1.026166
H -6.319477 -0.478086 0.080377
H 1.038020 4.948520 1.208500


