%chk=000254420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254420

0 1
O 1.177903 -0.521900 1.463471
O -1.150337 1.700859 0.343942
O -2.167383 -1.484392 1.439736
O 4.656063 1.290166 1.467903
O -2.621480 0.943936 -1.191748
O 6.449573 -1.769580 -1.419344
O -3.805405 -0.018762 1.966364
N 3.180495 -0.065445 0.314923
N 5.562450 -0.255835 0.011608
C -0.149439 0.752306 -0.106215
C -0.117966 -0.507341 0.795645
C 1.190776 1.462920 0.108987
C 2.016409 0.555692 1.030409
C -1.144007 -0.572089 1.929108
C 2.994654 -1.126486 -0.590668
C 4.494057 0.387460 0.668541
C -2.380346 1.738170 -0.315842
C 4.038812 -1.733049 -1.211223
C -3.164396 2.879546 0.253723
C 5.426826 -1.327182 -0.944929
C -3.482092 -1.058547 1.441059
C -4.659276 2.551681 0.371824
C 3.843220 -2.846270 -2.182536
C -4.313608 -2.072273 0.714397
C -4.900682 -1.437039 -0.557043
C -5.343130 2.429959 -0.984288
C -5.681496 -2.458094 -1.375100
H -0.359194 0.493723 -1.167721
H -0.154736 -1.444586 0.192066
H 1.021764 2.454326 0.586219
H 1.702024 1.687651 -0.844868
H 2.393981 1.045976 1.965013
H -1.581566 0.409999 2.195774
H -0.719044 -1.058114 2.828287
H 1.954647 -1.432800 -0.759298
H 6.514233 0.062812 0.249067
H -2.758933 3.160242 1.252981
H -3.011120 3.771028 -0.394349
H -5.148998 3.342209 0.975617
H -4.788395 1.610241 0.954629
H 3.201784 -2.549991 -3.023357
H 3.393115 -3.727590 -1.703566
H 4.804296 -3.177514 -2.615248
H -3.708042 -2.968637 0.456386
H -5.125031 -2.431305 1.382601
H -4.083769 -0.996422 -1.171825
H -5.556832 -0.585548 -0.280412
H -5.325130 3.373537 -1.540216
H -4.851790 1.671624 -1.612797
H -6.392554 2.134479 -0.873402
H -6.102885 -1.996443 -2.277068
H -6.516573 -2.885383 -0.807846
H -5.046748 -3.289325 -1.704367


%chk=000254420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254420

0 1
O 1.101560 -0.891324 0.966247
O -1.273031 0.966095 0.187322
O -2.375131 -2.202153 0.859522
O 3.543571 2.310907 0.738170
O -3.188539 0.726883 -1.130166
O 7.111553 -0.389491 -0.620544
O -3.773611 -0.715509 1.998120
N 3.078560 0.104621 0.038805
N 5.294020 0.907468 0.060800
C -0.584612 -0.099675 -0.588144
C -0.200324 -1.271703 0.347517
C 0.786076 0.451696 -1.012247
C 1.633218 0.306132 0.275014
C -1.171534 -1.590718 1.486822
C 3.556709 -1.122498 -0.431242
C 3.945882 1.191395 0.317044
C -2.602231 1.286575 -0.177191
C 4.884392 -1.375687 -0.680588
C -3.166444 2.329983 0.763041
C 5.863302 -0.303821 -0.434516
C -3.632708 -1.663560 1.192859
C -4.326618 3.143511 0.148611
C 5.400487 -2.704135 -1.174343
C -4.740011 -2.386122 0.452270
C -5.854524 -1.420281 -0.021896
C -3.882863 4.063282 -1.009253
C -7.008163 -2.177977 -0.710077
H -1.237285 -0.413046 -1.419440
H -0.045073 -2.180647 -0.269661
H 0.729853 1.495224 -1.356092
H 1.209176 -0.169598 -1.823026
H 1.542260 1.189155 0.927776
H -1.451533 -0.689680 2.054765
H -0.731185 -2.345790 2.158044
H 2.791320 -1.893507 -0.548670
H 5.948402 1.673833 0.249304
H -3.519694 1.768209 1.651938
H -2.345096 2.984441 1.105801
H -4.783234 3.749743 0.954003
H -5.105643 2.444630 -0.209480
H 4.579831 -3.426872 -1.321806
H 6.124539 -3.132325 -0.457677
H 5.944017 -2.582313 -2.128709
H -4.304599 -2.943641 -0.394311
H -5.175126 -3.135356 1.145533
H -5.415063 -0.678875 -0.715469
H -6.232903 -0.856344 0.850732
H -3.101197 4.773585 -0.679388
H -3.479232 3.472396 -1.851366
H -4.734406 4.653606 -1.393092
H -7.792850 -1.477843 -1.049061
H -7.479214 -2.904989 -0.021376
H -6.650353 -2.735292 -1.596230


