%chk=000241818.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241818

0 1
O 2.014270 1.103214 -0.000033
O 6.933958 1.839451 0.001376
O 6.954027 -0.402207 -0.001351
N 1.773807 -1.194146 0.000086
C -3.930132 -1.575054 0.000931
C -2.421387 -1.652853 0.000773
C -1.856894 -0.339071 0.000308
C -4.192376 -0.085646 0.000514
C -2.957910 0.634936 0.000148
C -0.485516 -0.146296 0.000082
C -1.600805 -2.767519 0.001012
C -5.402707 0.587040 0.000461
C -2.948348 2.022198 -0.000264
C 0.340255 -1.291710 0.000323
C -0.208451 -2.587481 0.000786
C -5.384805 1.994336 0.000036
C -4.180766 2.699355 -0.000321
C 2.519395 -0.003119 -0.000065
C 4.004902 -0.227410 -0.000193
C 4.836488 0.817024 0.000053
C 6.305526 0.618383 -0.000124
H -4.368127 -2.068438 0.889307
H -4.368342 -2.068975 -0.887042
H -0.056854 0.860640 -0.000264
H -2.016787 -3.772965 0.001366
H -6.347166 0.050248 0.000740
H -2.011375 2.576070 -0.000537
H 0.434115 -3.464460 0.000974
H -6.329144 2.537237 -0.000017
H -4.190274 3.788035 -0.000649
H 2.270711 -2.088091 0.000069
H 4.372413 -1.258733 -0.000570
H 4.488873 1.861929 0.000366
H 7.928124 1.758876 0.001317


%chk=000241818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241818

0 1
O 2.076148 1.262712 0.000086
O 7.124243 1.729433 -0.000451
O 6.932791 -0.592657 0.000395
N 1.781081 -1.078380 0.000474
C -3.949958 -1.613221 0.000579
C -2.427054 -1.655576 0.000578
C -1.897741 -0.329359 0.000373
C -4.246188 -0.116730 0.000351
C -3.024581 0.623574 0.000232
C -0.509206 -0.085811 0.000329
C -1.553856 -2.757599 0.000742
C -5.483737 0.550144 0.000253
C -3.038890 2.035968 0.000013
C 0.363925 -1.206689 0.000495
C -0.160489 -2.532524 0.000698
C -5.498431 1.967892 0.000033
C -4.285740 2.702713 -0.000086
C 2.554963 0.085930 0.000284
C 4.023127 -0.191767 0.000311
C 4.931963 0.822047 0.000077
C 6.384022 0.537744 0.000129
H -4.378368 -2.119115 0.888485
H -4.378379 -2.119388 -0.887166
H -0.091727 0.922500 0.000173
H -1.938076 -3.783513 0.000901
H -6.425793 -0.010487 0.000344
H -2.104493 2.608151 -0.000080
H 0.528310 -3.387376 0.000826
H -6.455166 2.502212 -0.000046
H -4.316717 3.797956 -0.000256
H 2.297921 -1.961527 0.000617
H 4.386521 -1.229593 0.000549
H 4.602643 1.865950 -0.000145
H 8.095628 1.511185 -0.000502


