%chk=000273399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273399

0 1
O -2.267106 -3.476775 1.160361
O -0.366720 2.662573 -1.386946
N -1.370440 1.270582 0.107345
C -1.090072 0.065639 -0.710429
C -2.396056 -0.660430 -1.088882
C -0.115833 -0.832368 0.049576
C -2.975342 -1.492084 0.050197
C -0.533486 -1.968631 0.633437
C -1.942389 -2.423675 0.654325
C 1.293565 -0.387270 0.111842
C 1.828329 0.471043 -0.865684
C 2.124119 -0.818017 1.163537
C -0.938756 2.534729 -0.316368
C 3.164457 0.871106 -0.803815
C 3.459274 -0.413398 1.224259
C -1.246733 3.664347 0.621871
C 3.984423 0.428081 0.238642
H -0.594612 0.407971 -1.673739
H -2.193737 -1.316616 -1.961585
H -3.145339 0.077874 -1.440282
H -3.845615 -2.084608 -0.304024
H -3.382319 -0.846122 0.854208
H 0.155086 -2.650946 1.140424
H -1.815946 1.122626 1.004180
H 1.192886 0.850403 -1.675252
H 1.726431 -1.469329 1.942383
H 3.564397 1.535380 -1.569626
H 4.092138 -0.755411 2.041877
H -0.926212 4.620416 0.173227
H -2.318469 3.756164 0.839633
H -0.712638 3.567230 1.577027
H 5.026614 0.739916 0.284582


%chk=000273399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273399

0 1
O -2.443196 -3.213259 1.533621
O -0.651643 2.773920 -1.613835
N -1.349732 1.313412 0.055244
C -1.007711 0.084651 -0.703673
C -2.271027 -0.684656 -1.159295
C -0.066496 -0.794472 0.136327
C -2.992156 -1.373730 0.014867
C -0.600869 -1.863626 0.827825
C -2.030579 -2.230410 0.840314
C 1.378513 -0.439904 0.190925
C 1.880838 0.709565 -0.490236
C 2.313788 -1.239118 0.916506
C -1.162295 2.586111 -0.464619
C 3.252196 1.038522 -0.447732
C 3.681139 -0.910186 0.956511
C -1.597202 3.739191 0.431952
C 4.161464 0.233166 0.273167
H -0.490004 0.446756 -1.609099
H -1.958907 -1.449319 -1.896521
H -2.946524 0.017410 -1.680267
H -3.822796 -2.014446 -0.328630
H -3.446258 -0.619817 0.691666
H 0.023827 -2.517186 1.446643
H -1.719723 1.207242 1.001742
H 1.210491 1.363479 -1.057301
H 1.977876 -2.133046 1.450856
H 3.607516 1.926521 -0.981523
H 4.375151 -1.545737 1.517501
H -2.343500 4.349864 -0.104602
H -2.027371 3.412685 1.394404
H -0.727405 4.388577 0.631327
H 5.226497 0.488240 0.302240


