%chk=000298947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298947

0 1
O -0.339504 1.128520 2.006257
O -4.969412 -0.512466 -1.235146
O -5.027592 0.333351 0.755065
N 3.478288 -0.540683 0.462924
N 3.319660 1.288032 -1.115706
N -4.436781 -0.055366 -0.237371
C 1.311352 0.247173 -0.252141
C 2.120526 -0.636390 0.507013
C -0.154533 0.177316 -0.248823
C 1.550950 -1.706222 1.398309
C -0.904535 0.618285 0.867044
C -0.846218 -0.329306 -1.358666
C 1.971017 1.195775 -1.062277
C 1.055103 -2.892046 0.574669
C -2.306268 0.549349 0.889648
C -2.951137 0.031612 -0.235097
C -2.240128 -0.406098 -1.361131
C 4.046966 0.408849 -0.346082
C 5.531125 0.493451 -0.399867
H 2.325442 -2.053427 2.121527
H 0.724492 -1.292754 2.015625
H -0.283752 -0.672308 -2.230215
H 1.404848 1.904581 -1.683243
H 0.257533 -2.603492 -0.120989
H 0.654286 -3.678970 1.226145
H 1.867061 -3.339057 -0.014004
H -2.864890 0.895310 1.766778
H -2.779627 -0.803104 -2.227340
H 6.008702 -0.073901 0.415869
H 5.910951 0.085351 -1.352089
H 5.879407 1.538117 -0.344018
H 0.642170 1.260519 1.910231


%chk=000298947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298947

0 1
O -0.364497 0.984099 2.085918
O -5.157001 -0.163002 -1.355302
O -5.161736 0.505127 0.825837
N 3.427954 -0.536080 0.486499
N 3.280953 1.182274 -1.221893
N -4.554653 0.175813 -0.264340
C 1.237474 0.221145 -0.265565
C 2.058755 -0.627750 0.544193
C -0.252630 0.191252 -0.259678
C 1.514327 -1.725837 1.436060
C -0.989854 0.573454 0.904220
C -0.977970 -0.165265 -1.426844
C 1.926882 1.102559 -1.146056
C 1.598142 -3.103207 0.721188
C -2.398556 0.567836 0.910559
C -3.068143 0.186279 -0.266816
C -2.384832 -0.177111 -1.448277
C 3.992340 0.359336 -0.377554
C 5.494030 0.451185 -0.430268
H 2.128978 -1.761764 2.353312
H 0.469561 -1.524794 1.726651
H -0.419500 -0.455709 -2.323001
H 1.362303 1.771248 -1.807158
H 0.970958 -3.119516 -0.188373
H 1.244686 -3.902847 1.395327
H 2.640456 -3.323461 0.433320
H -2.953762 0.863261 1.803314
H -2.950960 -0.460592 -2.337998
H 5.940985 -0.111343 0.402393
H 5.866061 0.034088 -1.384660
H 5.816022 1.505781 -0.396724
H 0.618729 1.043543 1.964617


