%chk=000217584.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217584

0 1
O 3.741623 -0.320934 -1.767983
O 2.097347 -1.068873 2.107532
O -1.540645 2.847655 0.081153
O -2.697212 -1.831339 -0.269780
O -3.516399 0.773751 -0.414487
N 2.879377 0.155484 0.345149
C 4.279719 -0.316763 0.573055
C 4.818451 -0.618334 -0.837492
C 2.748790 0.485199 -1.098397
C 1.837300 -0.423303 1.109651
C 0.438130 -0.095356 0.665134
C -0.431677 -1.163344 0.405539
C 0.031314 1.225828 0.544207
C -1.297496 1.504423 0.144447
C -1.746635 -0.883835 0.020653
C -2.198796 0.456350 -0.128294
C -2.875995 3.298953 -0.271242
C -2.336721 -3.225998 -0.090154
C -4.023628 0.205766 -1.653684
H 4.297716 -1.201744 1.247936
H 4.849024 0.491694 1.077946
H 5.674333 0.013400 -1.122397
H 5.043311 -1.682165 -1.015231
H 1.782161 0.201839 -1.554274
H 2.996224 1.553741 -1.262728
H -0.083362 -2.184426 0.537248
H 0.699623 2.058494 0.763098
H -3.615603 2.866128 0.413323
H -3.097423 3.026305 -1.306352
H -2.783158 4.383135 -0.140908
H -2.061645 -3.416343 0.952162
H -1.537362 -3.503603 -0.782628
H -3.277944 -3.730141 -0.344985
H -4.072222 -0.887188 -1.568526
H -3.402740 0.513201 -2.496806
H -5.026983 0.641444 -1.705286


%chk=000217584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217584

0 1
O 4.219582 0.274422 -1.693814
O 1.952499 -1.751151 1.500284
O -1.453911 2.706019 -0.717366
O -3.005776 -1.874292 -0.032353
O -3.560190 0.785348 -0.740800
N 2.888143 -0.093119 0.180580
C 4.255788 -0.544417 0.561465
C 5.139152 0.080874 -0.548442
C 2.968389 0.706630 -1.069375
C 1.788177 -0.781405 0.687591
C 0.413614 -0.335398 0.272339
C -0.608805 -1.316138 0.292624
C 0.091724 1.004981 -0.034174
C -1.235047 1.362945 -0.365882
C -1.932727 -0.968550 -0.040153
C -2.259316 0.375278 -0.410166
C -2.523283 3.430561 0.006568
C -2.724389 -3.245944 0.408493
C -4.233350 0.070332 -1.849397
H 4.280367 -1.647941 0.566252
H 4.525754 -0.191874 1.572298
H 5.556976 1.058382 -0.230528
H 5.949062 -0.578651 -0.892528
H 2.140233 0.492678 -1.760341
H 3.016962 1.793494 -0.842021
H -0.335320 -2.327941 0.602822
H 0.832445 1.808115 0.009738
H -2.285376 3.476523 1.086906
H -3.499919 2.944493 -0.147671
H -2.517809 4.444543 -0.421442
H -2.332870 -3.257856 1.442952
H -2.004214 -3.745301 -0.267412
H -3.694613 -3.762396 0.369472
H -4.405470 -0.984535 -1.582238
H -3.626696 0.141533 -2.771630
H -5.188987 0.598856 -1.986050


