%chk=000198325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198325

0 1
O 3.623776 -1.100083 0.367702
O -3.680150 0.156697 0.784269
O -0.218748 -2.153758 0.365565
O -1.877444 2.366677 -0.695323
O -3.997941 0.203262 -1.471327
N -0.925038 0.298592 -0.177167
N 1.822578 -2.867177 -0.218938
C 0.456338 0.622601 -0.145461
C 1.404594 -0.431675 0.026626
C 2.764912 -0.048717 0.136592
C 0.887579 1.958048 -0.277138
C 3.195318 1.276200 0.026846
C 2.238226 2.271597 -0.193995
C 0.949146 -1.838763 0.095035
C -1.971058 1.185986 -0.463311
C -3.340944 0.454640 -0.498438
C -4.933113 -0.575597 1.021452
C 5.038346 -0.822767 0.531296
C -4.735937 -2.034336 0.677387
H 0.155001 2.758067 -0.439555
H 4.242022 1.545636 0.107138
H 2.558382 3.311862 -0.294808
H -1.174131 -0.701117 0.089622
H -5.066889 -0.390544 2.103701
H -5.734371 -0.094738 0.434027
H 5.196913 -0.162529 1.389945
H 5.449645 -0.403609 -0.391898
H 5.440428 -1.825270 0.728470
H 2.810586 -2.730989 -0.375037
H 1.504837 -3.821075 -0.120844
H -5.574602 -2.647827 1.028048
H -4.648126 -2.186445 -0.408925
H -3.818236 -2.436950 1.131242


%chk=000198325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198325

0 1
O 3.628891 -1.139406 0.392619
O -3.329627 -0.358896 0.731706
O -0.494766 -1.894974 0.741234
O -1.881994 2.601599 -0.638207
O -4.441564 1.279376 -0.516297
N -0.961416 0.516957 0.036417
N 1.640129 -2.718051 0.906708
C 0.427221 0.741515 -0.074599
C 1.332141 -0.350204 0.224418
C 2.737138 -0.081346 0.101378
C 0.929813 2.012379 -0.473406
C 3.227027 1.181187 -0.293896
C 2.312661 2.215866 -0.578251
C 0.774882 -1.688882 0.636262
C -1.987252 1.406212 -0.240476
C -3.395035 0.791600 -0.048225
C -4.599841 -1.120232 0.950591
C 5.072228 -0.902791 0.282371
C -4.769538 -2.177032 -0.143560
H 0.219323 2.809883 -0.692965
H 4.299480 1.367335 -0.382349
H 2.689678 3.196876 -0.886031
H -1.197447 -0.459598 0.368072
H -4.463302 -1.570173 1.946329
H -5.437696 -0.401096 0.962286
H 5.398787 -0.113264 0.983799
H 5.351529 -0.632995 -0.752665
H 5.539552 -1.860181 0.556226
H 2.650968 -2.569516 0.832810
H 1.227769 -3.608171 1.182778
H -5.654491 -2.802019 0.078093
H -4.920690 -1.704514 -1.128938
H -3.882659 -2.831544 -0.191434


