%chk=000222186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222186

0 1
O 0.171140 -0.987249 1.207317
O -0.011098 -1.185203 -1.036794
N 3.842891 -0.753673 0.595776
C -1.914093 -0.372266 0.322038
C -2.922281 -1.028220 -0.645659
C -1.921745 1.179196 0.245814
C -2.918074 -2.583775 -0.546353
C -1.273364 1.779786 1.510648
C -4.353999 -0.640543 -0.331375
C -1.113711 3.296746 1.363559
C -4.383743 -3.005142 -0.282718
C 2.441563 -0.211783 0.697422
C -0.518559 -0.883241 0.017510
C -1.264457 1.692937 -1.009381
C 4.908345 0.296179 0.474912
C 4.017537 -1.608879 -0.631085
C 5.240997 0.486648 -1.022074
C 4.666133 -0.748266 -1.737163
C -0.222899 3.644477 0.160740
C -5.139946 -1.707782 -0.146861
C 1.567928 -1.402945 1.160843
C -0.527699 2.806927 -1.045957
C 2.324628 0.924050 1.717015
H -2.184946 -0.670776 1.370158
H -2.673257 -0.721591 -1.690894
H -2.994854 1.510934 0.215708
H -2.532288 -3.027409 -1.478231
H -2.259701 -2.942333 0.260595
H -0.273147 1.309984 1.684591
H -1.879089 1.540975 2.402519
H -4.636899 0.397871 -0.292042
H -2.107687 3.768518 1.238526
H -0.685623 3.724979 2.288513
H 2.057574 0.151142 -0.293880
H -4.784763 -3.613519 -1.112759
H -4.473093 -3.620556 0.629176
H -1.440260 1.095223 -1.904277
H 5.790722 -0.095993 1.025621
H 4.627721 1.248916 0.957777
H 3.064993 -2.059347 -0.968977
H 4.688001 -2.444046 -0.337680
H 6.327430 0.576378 -1.178791
H 4.790704 1.413625 -1.413136
H 3.920915 -0.455254 -2.495887
H 5.449113 -1.310470 -2.269889
H 0.845552 3.498857 0.428707
H -0.329757 4.719607 -0.085617
H -6.194723 -1.715928 0.071873
H 1.755272 -1.689962 2.209835
H 1.656098 -2.279888 0.497512
H -0.082053 3.162239 -1.974846
H 2.821782 1.837074 1.374101
H 2.757284 0.648109 2.685851
H 1.256183 1.165263 1.883468


%chk=000222186-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222186

0 1
O 0.204852 -0.835914 1.467652
O -0.008885 -1.356663 -0.793463
N 3.832565 -0.916512 0.487526
C -1.920519 -0.342410 0.418574
C -2.890419 -1.104189 -0.532876
C -1.922242 1.220665 0.187178
C -2.871385 -2.657667 -0.321570
C -1.486968 1.996294 1.456394
C -4.365727 -0.763040 -0.330011
C -1.308375 3.501615 1.155369
C -4.341654 -3.143204 -0.519690
C 2.571503 -0.209103 0.884070
C -0.506496 -0.897017 0.263484
C -1.099456 1.637761 -1.025773
C 5.075733 -0.099961 0.388731
C 3.732420 -1.541260 -0.873404
C 5.051737 0.558149 -1.025848
C 4.301981 -0.495080 -1.903463
C -0.197273 3.725258 0.101927
C -5.152919 -1.869935 -0.324778
C 1.621936 -1.315229 1.409886
C -0.319975 2.751215 -1.057593
C 2.783278 0.862038 1.969603
H -2.238351 -0.517961 1.464690
H -2.590112 -0.868407 -1.576138
H -2.982947 1.483673 -0.014962
H -2.157330 -3.154741 -0.997612
H -2.552662 -2.875256 0.717007
H -0.534602 1.578336 1.835230
H -2.240212 1.847601 2.254857
H -4.740583 0.263573 -0.252876
H -2.262844 3.913736 0.770232
H -1.070276 4.053646 2.084590
H 2.078420 0.273735 0.006771
H -4.504654 -3.552572 -1.538282
H -4.622644 -3.944127 0.190149
H -1.146977 0.988534 -1.910768
H 5.937512 -0.792829 0.460430
H 5.160292 0.618647 1.217557
H 2.689746 -1.820652 -1.099135
H 4.349432 -2.459268 -0.888042
H 6.066539 0.780955 -1.400727
H 4.490074 1.510542 -0.994386
H 3.492172 -0.026410 -2.489019
H 4.985560 -0.986156 -2.618753
H 0.802222 3.609702 0.575056
H -0.231053 4.766015 -0.277953
H -6.244962 -1.864510 -0.235690
H 1.865641 -1.581005 2.450399
H 1.664620 -2.208714 0.766420
H 0.258495 2.974241 -1.965537
H 3.299011 1.757192 1.579695
H 3.369622 0.453571 2.813667
H 1.799838 1.183702 2.357003


