%chk=000179712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179712

0 1
O -3.294145 3.365096 -1.257268
O -3.047357 -2.399126 1.106062
O 2.003191 -0.789886 1.473071
O 1.066964 1.987341 -1.232124
O -0.817203 -2.213282 0.854728
N 0.100062 0.145526 -0.220335
C -1.254226 0.536251 -0.254781
C -2.256113 -0.372169 0.221292
C -1.646748 1.792104 -0.749921
C 2.532329 0.237761 -0.579911
C 1.203881 0.901352 -0.703956
C -3.613406 0.018997 0.187802
C -2.999471 2.127556 -0.762120
C -4.007264 1.254484 -0.294880
C 2.928308 -0.594487 0.483842
C 3.476806 0.498993 -1.591038
C -1.916215 -1.695959 0.732638
C 4.204760 -1.180382 0.540827
C 4.746412 -0.074335 -1.550969
C 5.106651 -0.914083 -0.487269
C -2.827189 -3.736004 1.630321
H 0.309534 -0.775008 0.244749
H -0.908607 2.514143 -1.127459
H -4.368689 -0.686042 0.557152
H -5.051546 1.541511 -0.314413
H 3.194928 1.167352 -2.412573
H 4.482260 -1.823151 1.370495
H 5.461457 0.133228 -2.345016
H 6.102493 -1.360468 -0.462315
H -4.266713 3.557784 -1.244232
H 2.287206 -1.463170 2.143469
H -3.848354 -4.106749 1.765809
H -2.284187 -3.668151 2.577789
H -2.265309 -4.332427 0.904033


%chk=000179712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179712

0 1
O -3.305374 3.331089 -1.546622
O -3.132448 -2.316460 1.359022
O 1.859925 -1.549344 0.895142
O 1.070792 1.915671 -1.384914
O -0.837172 -2.149089 1.054257
N 0.088453 0.124645 -0.211040
C -1.269729 0.513136 -0.280971
C -2.297620 -0.346947 0.274061
C -1.663661 1.737330 -0.883836
C 2.558251 0.205479 -0.592565
C 1.182809 0.816760 -0.750664
C -3.656301 0.066710 0.200120
C -3.020639 2.104593 -0.933838
C -4.037198 1.276313 -0.392173
C 2.896113 -0.942952 0.177765
C 3.610676 0.850832 -1.295801
C -1.987748 -1.642308 0.906083
C 4.221948 -1.432592 0.231833
C 4.934834 0.375651 -1.252309
C 5.240729 -0.775356 -0.487442
C -2.883900 -3.623516 2.002872
H 0.288523 -0.761715 0.297938
H -0.907895 2.394254 -1.313270
H -4.412803 -0.597037 0.624585
H -5.092992 1.569831 -0.434983
H 3.340090 1.738095 -1.876856
H 4.452685 -2.317835 0.838073
H 5.722071 0.893237 -1.809181
H 6.266463 -1.157476 -0.445177
H -4.278213 3.513239 -1.540240
H 2.099883 -2.415241 1.301245
H -3.880630 -3.986325 2.291445
H -2.235364 -3.501329 2.886958
H -2.400058 -4.316741 1.293983


