%chk=000229421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229421

0 1
O 4.264286 -0.269821 -0.938146
O 3.799930 0.951688 0.875234
N -2.066020 -1.316382 -0.161976
N -2.835484 0.989982 0.177931
N -1.327926 2.769229 0.348904
N -4.370533 -0.764406 -0.228426
C 1.966304 -0.122791 -0.397840
C 1.652361 -1.504990 0.201499
C 0.982315 0.942319 0.123363
C 0.262626 -1.959816 -0.247026
C -0.438661 0.474906 0.074414
C -0.774863 -0.880473 -0.098307
C 3.380340 0.274459 -0.032495
C -1.521211 1.393653 0.215713
C -3.057371 -0.354474 -0.057038
H 1.887480 -0.186866 -1.516079
H 1.698923 -1.459276 1.308693
H 2.413952 -2.244926 -0.115343
H 1.103797 1.866579 -0.481440
H 1.248942 1.211745 1.170951
H -0.048098 -2.865662 0.320651
H 0.279665 -2.286147 -1.311848
H -2.141940 3.336004 0.556875
H -0.466774 3.100519 0.752201
H 5.211506 -0.044598 -0.737129
H -4.576003 -1.751989 -0.202316
H -5.113943 -0.130366 0.022279


%chk=000229421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229421

0 1
O 4.333856 -0.439132 -0.824461
O 3.784180 1.153516 0.769178
N -2.102649 -1.327129 -0.175357
N -2.857643 0.970363 0.201675
N -1.348746 2.721039 0.485100
N -4.380030 -0.784857 -0.084049
C 1.984488 -0.095965 -0.405025
C 1.649277 -1.499036 0.188128
C 0.981479 0.963033 0.105193
C 0.261837 -1.953095 -0.306469
C -0.454376 0.469161 0.063844
C -0.804230 -0.886173 -0.129638
C 3.410365 0.302210 -0.069023
C -1.553093 1.374765 0.248422
C -3.067867 -0.365506 -0.019969
H 1.918440 -0.185444 -1.507226
H 1.658079 -1.435548 1.293627
H 2.420374 -2.229062 -0.114902
H 1.090670 1.879527 -0.512214
H 1.273132 1.252519 1.136141
H -0.068297 -2.862450 0.226716
H 0.311728 -2.227774 -1.379699
H -2.168711 3.309932 0.613194
H -0.418614 3.114478 0.585962
H 5.257534 -0.174528 -0.562821
H -4.571477 -1.770070 -0.239942
H -5.126108 -0.106675 0.036917


