%chk=000289619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289619

0 1
O 1.731792 2.670306 0.214658
O 5.785028 2.140415 -2.765732
O 4.858702 0.116291 -2.554182
N 0.928125 0.739250 1.124116
C -0.822418 -0.157001 -0.417056
C -2.531325 -0.193033 1.576191
C -0.454714 0.955587 0.634227
C -1.462870 0.912581 1.817582
C -0.854773 -1.480448 0.323293
C -2.248571 0.137365 -0.842525
C -1.777273 -1.500165 1.404292
C -3.175502 0.112933 0.234351
C -0.081138 -2.596419 0.037385
C -2.675774 0.413384 -2.133288
C -1.916314 -2.636665 2.187952
C -4.521306 0.362621 0.009062
C 1.950001 1.643775 0.841141
C -0.226993 -3.746373 0.833422
C -4.041203 0.665564 -2.357048
C -1.131435 -3.766009 1.893988
C -4.950846 0.640018 -1.301229
C 3.327323 1.272494 1.363609
C 4.199889 0.729219 0.227393
C 4.530323 1.813650 -0.803529
C 5.027022 1.215352 -2.079352
H -0.108827 -0.152077 -1.263932
H -3.264107 -0.226331 2.405311
H -0.501091 1.958089 0.128306
H -1.958629 1.894845 1.917321
H -0.951220 0.732977 2.779294
H 1.110787 -0.149613 1.582670
H 0.621982 -2.592650 -0.792819
H -1.973385 0.435393 -2.963525
H -2.622413 -2.664236 3.014286
H -5.239234 0.344209 0.825121
H 0.371401 -4.628565 0.611761
H -4.385353 0.881658 -3.367091
H -1.238383 -4.663302 2.501156
H -6.005560 0.835415 -1.487122
H 3.786751 2.186524 1.800966
H 3.284657 0.541663 2.193365
H 5.136997 0.311599 0.648282
H 3.691239 -0.124134 -0.273457
H 3.620378 2.436848 -1.023753
H 5.261787 2.547496 -0.401129
H 6.115273 1.796400 -3.637531


%chk=000289619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289619

0 1
O 1.666523 2.435036 -0.278135
O 6.016220 1.900324 -2.830023
O 5.246475 -0.231259 -2.336739
N 0.799406 0.940083 1.274642
C -0.884110 -0.018080 -0.351157
C -2.622542 -0.291019 1.592275
C -0.583791 1.053133 0.783210
C -1.621576 0.875953 1.941128
C -0.820573 -1.385199 0.321540
C -2.321904 0.233636 -0.792408
C -1.766888 -1.536924 1.373707
C -3.267486 0.079131 0.257620
C 0.072736 -2.429494 0.013691
C -2.746599 0.601286 -2.082980
C -1.823831 -2.735690 2.110124
C -4.638579 0.284422 0.016325
C 1.849272 1.625229 0.689656
C 0.011617 -3.639292 0.750586
C -4.127494 0.806419 -2.328506
C -0.932803 -3.791952 1.792704
C -5.068811 0.647329 -1.284967
C 3.236927 1.337753 1.269485
C 4.189642 0.698149 0.221399
C 4.588300 1.679030 -0.901528
C 5.287878 0.987071 -2.048484
H -0.157870 0.098364 -1.172056
H -3.363964 -0.422946 2.398726
H -0.664884 2.051597 0.322064
H -2.184712 1.812637 2.093039
H -1.104158 0.643224 2.890449
H 0.999461 0.236102 1.987968
H 0.803435 -2.310538 -0.794904
H -2.015707 0.727713 -2.890001
H -2.554280 -2.854332 2.919249
H -5.368551 0.163022 0.825461
H 0.696176 -4.460240 0.509671
H -4.467691 1.087932 -3.331316
H -0.977299 -4.731580 2.354832
H -6.134931 0.804460 -1.483856
H 3.664469 2.297653 1.617440
H 3.162182 0.672632 2.150669
H 5.098792 0.341728 0.741632
H 3.716500 -0.195460 -0.226463
H 3.676629 2.173002 -1.295661
H 5.234242 2.493063 -0.525724
H 6.422952 1.413791 -3.598182


