%chk=000245397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245397

0 1
O 2.251531 1.446721 0.190768
O -0.968063 -0.009022 -0.621190
O 0.161590 -1.347547 0.805221
C 2.587051 0.142649 -0.329782
C 3.002418 -0.800861 0.814948
C 3.808694 0.285583 -1.271520
C 4.534895 -0.813988 0.831821
C 4.998438 -0.396118 -0.577416
C 1.306713 -0.264362 -1.077716
C -2.228176 -0.212912 0.124261
C -3.028138 1.047300 -0.214625
C -2.870933 -1.499260 -0.400867
C -4.468146 0.909928 0.293471
C -4.312954 -1.615042 0.107325
C -5.132778 -0.365374 -0.244694
C 0.169353 -0.618681 -0.161145
H 2.591220 -1.816348 0.656014
H 2.565842 -0.475712 1.776156
H 4.006512 1.356006 -1.462379
H 3.620194 -0.161163 -2.260586
H 4.923844 -1.809641 1.103290
H 4.924163 -0.115759 1.593287
H 5.870262 0.276831 -0.525187
H 5.326183 -1.279591 -1.153156
H 1.506013 -1.128160 -1.745588
H 1.000356 0.582016 -1.740410
H -1.978416 -0.283691 1.204283
H -3.015021 1.210718 -1.310938
H -2.537925 1.937074 0.223459
H -2.273903 -2.375127 -0.080408
H -2.849545 -1.501762 -1.507860
H -5.054931 1.798052 -0.008119
H -4.476935 0.899993 1.400826
H -4.312546 -1.768525 1.204254
H -4.789749 -2.514457 -0.325650
H -6.155732 -0.458368 0.164840
H -5.247155 -0.291293 -1.343433
H 2.941473 1.768293 0.801444


%chk=000245397-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245397

0 1
O 2.273953 1.227227 0.409288
O -0.984536 0.047961 -0.764292
O 0.092633 -1.283389 0.819026
C 2.630573 -0.016538 -0.328465
C 3.153811 -1.096939 0.654271
C 3.849078 0.249339 -1.269273
C 4.623975 -0.679324 0.908341
C 5.130513 -0.184853 -0.481871
C 1.350488 -0.362308 -1.110881
C -2.283877 -0.120322 -0.026443
C -3.141209 1.104922 -0.370443
C -2.955579 -1.440036 -0.447741
C -4.537502 0.981628 0.291095
C -4.349586 -1.564220 0.216918
C -5.238267 -0.339653 -0.109793
C 0.132560 -0.593118 -0.227209
H 3.124891 -2.086868 0.158912
H 2.526674 -1.163416 1.557064
H 3.858962 1.315879 -1.552981
H 3.748161 -0.337666 -2.201129
H 5.232213 -1.507919 1.311005
H 4.675242 0.137768 1.657879
H 5.860247 0.638244 -0.385125
H 5.643485 -1.009095 -1.010436
H 1.527363 -1.285676 -1.695806
H 1.120301 0.449123 -1.821026
H -2.048285 -0.151664 1.055438
H -3.252256 1.165711 -1.471047
H -2.626845 2.025767 -0.039623
H -2.312152 -2.292927 -0.165946
H -3.065231 -1.445187 -1.550660
H -5.160489 1.850901 0.006856
H -4.427281 1.015359 1.394746
H -4.225482 -1.643989 1.316566
H -4.839108 -2.498676 -0.117107
H -6.213267 -0.425847 0.407452
H -5.450848 -0.323986 -1.198776
H 2.952377 1.382186 1.114212


