%chk=000198426.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198426

0 1
O -3.020108 -2.273674 0.370642
O -3.064972 2.372749 -0.519528
N 5.282892 0.068853 0.139094
N 1.646329 -0.045854 -0.814595
C 5.926374 -0.487831 1.375887
C 5.976283 1.320035 -0.316547
C 7.400267 -0.819213 1.088236
C 7.450083 1.011987 -0.628561
C 8.159484 0.417884 0.594119
C 3.822104 0.313395 0.354778
C 3.123423 0.000318 -0.988938
C 0.965464 -1.227068 -0.468724
C 0.927757 1.155343 -0.923093
C -1.168610 0.010890 -0.372500
C -0.390402 -1.193163 -0.264709
C -0.417696 1.197714 -0.721716
C -2.532819 0.038950 -0.157929
C 1.746035 -2.493009 -0.352602
C -3.362383 -1.122192 0.199360
C -3.386021 1.233452 -0.251729
C -4.779328 -0.612411 0.324431
C -4.793082 0.779412 0.057899
C -5.941482 -1.290085 0.638278
C -5.969006 1.502996 0.103404
C -7.144856 -0.554276 0.685763
C -7.158348 0.814088 0.423726
H 5.386164 -1.418959 1.653007
H 5.856929 0.203731 2.243078
H 5.912704 2.140803 0.430601
H 5.469405 1.677645 -1.238090
H 7.455306 -1.619614 0.322891
H 7.873399 -1.226197 2.000545
H 7.959602 1.934083 -0.962874
H 7.506788 0.297998 -1.474881
H 9.200864 0.148350 0.336992
H 8.228780 1.172165 1.400686
H 3.580859 1.345177 0.686834
H 3.425172 -0.357762 1.147771
H 3.499694 -0.966055 -1.399796
H 3.384836 0.764682 -1.754529
H 1.504709 2.048973 -1.184977
H -0.935341 -2.116093 -0.005397
H -0.975491 2.143290 -0.820242
H 2.129682 -2.829265 -1.328902
H 1.118441 -3.316558 0.031219
H 2.601841 -2.408676 0.333245
H -5.928855 -2.359980 0.842635
H -5.977383 2.572754 -0.101993
H -8.072597 -1.069519 0.931196
H -8.096587 1.365837 0.464833


%chk=000198426-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198426

0 1
O -3.131543 -2.344161 0.307759
O -2.987025 2.451887 -0.485739
N 5.323771 0.039014 0.207839
N 1.671886 -0.228275 -0.850291
C 6.040981 -0.434635 1.423131
C 5.880663 1.325393 -0.289192
C 7.542795 -0.628256 1.133414
C 7.380113 1.189970 -0.624546
C 8.171037 0.679788 0.602064
C 3.857204 0.067527 0.367856
C 3.151874 -0.229571 -0.982665
C 0.944974 -1.390576 -0.546335
C 1.004538 0.992734 -0.931785
C -1.150971 -0.054691 -0.403746
C -0.426097 -1.304141 -0.332162
C -0.354980 1.111160 -0.727893
C -2.548770 0.024181 -0.174718
C 1.674823 -2.714098 -0.486096
C -3.432039 -1.110284 0.160894
C -3.360235 1.256751 -0.229517
C -4.821464 -0.545092 0.313864
C -4.779065 0.853248 0.082893
C -6.025582 -1.194388 0.629493
C -5.939640 1.639351 0.161162
C -7.204267 -0.407694 0.711026
C -7.161829 0.991619 0.479771
H 5.589952 -1.393107 1.741158
H 5.922431 0.289340 2.271433
H 5.745185 2.135589 0.475321
H 5.321791 1.634017 -1.192582
H 7.658700 -1.429173 0.377867
H 8.053923 -0.960621 2.057031
H 7.769398 2.169918 -0.960986
H 7.495432 0.476702 -1.463330
H 9.233075 0.520203 0.337797
H 8.148869 1.449942 1.400822
H 3.484198 1.041904 0.770095
H 3.562139 -0.709414 1.097523
H 3.499626 -1.202129 -1.360381
H 3.428411 0.532292 -1.732471
H 1.630616 1.854587 -1.178358
H -0.993705 -2.209826 -0.100124
H -0.849377 2.083225 -0.807059
H 2.085087 -3.004043 -1.472203
H 0.968547 -3.498822 -0.175411
H 2.512190 -2.707263 0.235654
H -6.042849 -2.274815 0.805478
H -5.891358 2.718048 -0.019731
H -8.160862 -0.883443 0.955358
H -8.086269 1.576230 0.548919


