%chk=000229549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229549

0 1
O 0.648154 3.373859 1.176780
N 1.650628 2.469086 0.843788
C -0.857261 0.215863 -0.375567
C -2.289654 -0.141522 -0.209969
C -0.201909 0.851893 0.609635
C 2.241545 0.256677 0.206857
C 1.209863 1.271294 0.560409
C -0.236007 -0.176328 -1.675595
C -3.243886 0.863062 0.012213
C -2.692525 -1.484317 -0.278366
C 2.191323 -1.012311 0.806276
C 3.253857 0.557382 -0.716836
C -4.591303 0.524282 0.163125
C -4.040307 -1.816738 -0.121037
C -4.991094 -0.814214 0.098169
C 3.149438 -1.973542 0.477495
C 4.207315 -0.411683 -1.042215
C 4.156342 -1.676054 -0.447674
H -0.711297 1.138706 1.536250
H -0.981761 -0.409210 -2.446980
H 0.403465 -1.064660 -1.552889
H 0.407182 0.621602 -2.075558
H -2.932002 1.905977 0.063778
H -1.953477 -2.265020 -0.449517
H 1.407554 -1.241862 1.527806
H 3.300053 1.547600 -1.170645
H -5.330410 1.305639 0.333007
H -4.350832 -2.859101 -0.169626
H -6.040572 -1.075889 0.218251
H 3.113853 -2.956123 0.945248
H 4.993796 -0.177558 -1.758008
H 4.901403 -2.427898 -0.701393
H 1.176027 4.213406 1.391688


%chk=000229549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229549

0 1
O 0.503514 3.453624 0.766233
N 1.637218 2.541485 0.565247
C -0.907226 0.051044 -0.427252
C -2.363847 -0.192026 -0.185759
C -0.215606 0.928088 0.375877
C 2.311494 0.321293 0.077983
C 1.208310 1.303095 0.309547
C -0.277428 -0.681787 -1.601577
C -3.193609 0.771009 0.461030
C -2.973516 -1.404727 -0.617975
C 2.190012 -1.018984 0.534893
C 3.517587 0.723636 -0.558860
C -4.561466 0.519398 0.688415
C -4.342273 -1.660088 -0.385957
C -5.144922 -0.700921 0.271695
C 3.248998 -1.934686 0.357577
C 4.573682 -0.194246 -0.736097
C 4.444609 -1.527764 -0.279858
H -0.769939 1.473631 1.149709
H -0.944449 -0.636446 -2.481539
H -0.105708 -1.751917 -1.373354
H 0.695203 -0.250567 -1.877882
H -2.774154 1.738864 0.756031
H -2.371082 -2.164533 -1.126726
H 1.270854 -1.331895 1.042472
H 3.610267 1.756289 -0.909284
H -5.177807 1.281241 1.179031
H -4.781507 -2.607062 -0.719599
H -6.209002 -0.894218 0.446944
H 3.144513 -2.962973 0.721705
H 5.495933 0.127566 -1.232850
H 5.264760 -2.240779 -0.420341
H 0.964090 4.297657 1.009422


