%chk=000181165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181165

0 1
O 5.257920 -0.068697 0.242871
O -0.107605 0.867341 -0.304592
O -0.538910 1.826018 1.694066
O -3.215119 2.055736 0.982525
O -2.456097 3.090406 -1.344173
N 3.091685 -1.316571 -0.814765
C 3.996761 0.087910 0.970440
C 4.233735 0.794425 -0.347978
C 2.977694 -1.036664 0.666423
C 3.347480 0.059833 -1.382858
C 1.557294 -0.465320 0.856163
C 1.963636 0.745739 -1.409363
C 1.334424 0.789212 -0.006271
C 4.150740 -2.305540 -1.153482
C -0.953779 1.360779 0.667866
C -2.414435 1.212305 0.166043
C -2.549723 1.662924 -1.311959
C -2.881369 -0.213968 0.369594
C -4.013898 -0.475375 1.150707
C -2.183913 -1.269102 -0.238017
C -4.453288 -1.792385 1.316773
C -2.629657 -2.581262 -0.070228
C -3.764835 -2.844285 0.705683
H 4.077190 0.511304 1.960517
H 4.519797 1.824828 -0.493517
H 3.143974 -1.946585 1.276181
H 3.806162 0.015910 -2.390285
H 0.816565 -1.242121 0.565770
H 1.359364 -0.236615 1.920014
H 2.035471 1.761099 -1.834089
H 1.291903 0.171434 -2.085656
H 1.610439 1.713272 0.546296
H 4.168028 -2.448546 -2.245374
H 3.889296 -3.274601 -0.699608
H 5.165278 -2.024243 -0.819639
H -1.796980 1.192304 -1.966656
H -3.572206 1.459668 -1.689566
H -3.201985 2.989085 0.620362
H -4.542822 0.354217 1.629447
H -1.288389 -1.064707 -0.830694
H -1.514276 3.372046 -1.350100
H -5.333134 -1.995876 1.925548
H -2.090720 -3.401348 -0.542366
H -4.109396 -3.869184 0.835049


%chk=000181165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181165

0 1
O 5.336475 0.151406 0.560052
O -0.108682 0.795450 -0.456880
O -0.564309 1.411662 1.749892
O -3.174459 2.172340 0.878143
O -1.978507 2.811142 -1.634191
N 3.466894 -1.137356 -0.945517
C 3.920150 0.070180 1.091738
C 4.228704 0.973241 -0.064362
C 3.095533 -1.099117 0.501498
C 3.576953 0.308159 -1.300372
C 1.586670 -0.721164 0.570222
C 2.121644 0.847812 -1.439928
C 1.352305 0.650964 -0.112883
C 4.586410 -2.023431 -1.342763
C -0.968141 1.146230 0.603247
C -2.454729 1.148191 0.130270
C -2.569008 1.485974 -1.381629
C -3.077409 -0.218085 0.444151
C -4.159839 -0.313392 1.349833
C -2.579275 -1.390140 -0.181499
C -4.747787 -1.570206 1.617034
C -3.170774 -2.643641 0.088244
C -4.258487 -2.737685 0.987256
H 3.781199 0.418971 2.120621
H 4.342815 2.059501 0.021389
H 3.289213 -2.071637 0.982962
H 4.146579 0.441828 -2.234545
H 1.023150 -1.501364 0.029586
H 1.222404 -0.680622 1.612687
H 2.113628 1.918740 -1.721718
H 1.627354 0.272333 -2.241268
H 1.584318 1.461093 0.603005
H 4.683940 -1.994772 -2.443570
H 4.329156 -3.061301 -1.063032
H 5.560952 -1.757669 -0.886816
H -2.107155 0.710254 -2.015329
H -3.638334 1.588109 -1.625463
H -2.905982 3.049665 0.492521
H -4.523684 0.598414 1.829505
H -1.726820 -1.329795 -0.868554
H -0.993856 2.697017 -1.680899
H -5.586699 -1.637197 2.318803
H -2.783436 -3.544489 -0.400906
H -4.716775 -3.710810 1.196565


