%chk=000203146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203146

0 1
O 2.344857 -0.941708 -2.196470
O -4.159613 -0.910254 -0.004189
O -1.608457 1.384860 2.453065
O -3.978584 0.384810 1.837506
N 4.866165 0.502855 -0.127585
N 2.089622 0.421206 -0.344805
C 4.302283 0.246015 -1.484549
C 5.528404 -0.718381 0.442791
C 5.800039 1.680580 -0.143615
C 2.832968 -0.178559 -1.387349
C 4.514307 -1.834018 0.681464
C 5.978139 2.219122 1.275478
C 0.710290 0.239389 -0.075587
C 0.191195 0.880990 1.060378
C -2.033070 -0.031564 0.521371
C -0.130593 -0.539207 -0.912520
C -1.175789 0.741617 1.349024
C -1.472635 -0.664614 -0.611059
C -5.595391 -1.062653 0.290308
C -6.088755 -1.947623 -0.849182
C -3.439175 -0.142592 0.865948
C -7.581595 -2.220965 -0.712118
H 4.340273 1.158401 -2.124203
H 4.843836 -0.544705 -2.055586
H 6.359741 -1.088961 -0.196272
H 5.981297 -0.421198 1.417416
H 6.789235 1.436453 -0.588411
H 5.351620 2.476938 -0.779889
H 3.644950 -1.474849 1.248627
H 4.135711 -2.266723 -0.252791
H 4.963644 -2.651625 1.257364
H 5.008155 2.396256 1.759503
H 6.531588 1.522645 1.916517
H 6.524462 3.169071 1.267408
H 2.625130 0.979969 0.342592
H 0.804958 1.482789 1.725696
H 0.290199 -1.039111 -1.791844
H -2.130986 -1.262687 -1.250382
H -5.687987 -1.525627 1.286711
H -6.046796 -0.056706 0.301249
H -5.516810 -2.898314 -0.859425
H -5.868113 -1.462587 -1.822366
H -7.818329 -2.736275 0.226683
H -8.170661 -1.296182 -0.739015
H -7.939803 -2.857563 -1.530759
H -2.622725 1.252686 2.624969


%chk=000203146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203146

0 1
O 2.448577 -0.824360 -2.686655
O -4.174640 -0.813416 -0.120851
O -1.282718 0.166815 2.833987
O -3.725354 -0.237759 2.088215
N 4.827975 0.328174 -0.106507
N 2.260103 -0.294572 -0.381736
C 4.477167 -0.380424 -1.365618
C 6.051186 -0.212905 0.559514
C 4.869341 1.811399 -0.312655
C 2.948469 -0.514478 -1.565716
C 5.814615 -1.579770 1.227163
C 4.709992 2.615869 0.989658
C 0.876240 -0.355901 -0.118838
C 0.450248 -0.073140 1.201201
C -1.890780 -0.450472 0.523409
C -0.078458 -0.688714 -1.131788
C -0.919291 -0.117038 1.532967
C -1.435823 -0.729873 -0.795793
C -5.627511 -0.861634 0.230148
C -6.381093 -1.223826 -1.049665
C -3.304005 -0.487064 0.901654
C -7.903118 -1.305939 -0.795920
H 4.888787 0.106704 -2.275252
H 4.884968 -1.407547 -1.343118
H 6.899085 -0.280739 -0.163678
H 6.355415 0.511094 1.335568
H 5.810712 2.108917 -0.834114
H 4.035585 2.068504 -0.992643
H 5.019635 -1.505516 1.989831
H 5.517232 -2.356048 0.498999
H 6.740775 -1.927184 1.720535
H 3.758756 2.363409 1.491362
H 5.533120 2.431273 1.702439
H 4.703407 3.697819 0.764432
H 2.927394 -0.035743 0.375154
H 1.165902 0.180778 1.989866
H 0.269552 -0.903169 -2.143238
H -2.180658 -0.982163 -1.556183
H -5.769126 -1.613285 1.028553
H -5.924748 0.125994 0.628301
H -6.005164 -2.191862 -1.430042
H -6.163998 -0.465649 -1.824984
H -8.144561 -2.074850 -0.038410
H -8.304949 -0.339918 -0.437351
H -8.439326 -1.569052 -1.724517
H -2.301713 0.088658 2.894414


