%chk=000222511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222511

0 1
O 0.804175 0.010351 1.859275
N -0.718675 -1.393255 -0.630241
N -0.611487 1.689268 0.133036
C 0.467731 -0.503425 -0.482540
C 0.278619 1.007367 -0.836943
C 1.650045 1.656304 -0.974700
C 1.030846 -0.741366 0.935206
C -1.886623 -1.005365 0.226974
C -1.127047 -1.525263 -2.059615
C -2.807056 -2.191057 0.397466
C 1.914193 -1.937154 1.084926
C -1.074887 3.002900 -0.145935
C 2.201474 1.815681 -2.254657
C 2.369734 2.089919 0.146631
C 3.459709 2.403997 -2.409076
C 3.626345 2.680966 -0.011419
C -4.195729 -2.006792 0.322863
C -2.291308 -3.468477 0.664481
C 3.237539 -1.756758 1.512147
C 1.423080 -3.222636 0.825846
C -1.593281 3.759163 0.932927
C -1.132502 3.523752 -1.454863
C 4.174282 2.838504 -1.288163
C -5.056686 -3.090696 0.517986
C -3.154920 -4.548860 0.854872
C 4.073964 -2.865960 1.660765
C 2.261893 -4.329071 0.985060
C -2.172822 5.000860 0.687658
C -1.716597 4.772151 -1.674320
C -4.539715 -4.362314 0.783554
C 3.586513 -4.151035 1.397537
C -2.239829 5.515303 -0.613096
H 1.242638 -0.890556 -1.210293
H -0.242639 1.041262 -1.838114
H -2.436157 -0.121099 -0.171162
H -1.518910 -0.693298 1.234736
H -0.330974 1.527535 1.114658
H -0.283113 -1.911009 -2.651738
H -1.492475 -0.596187 -2.522530
H -1.937150 -2.274988 -2.120290
H 1.651804 1.487031 -3.134587
H 1.951350 1.970581 1.148549
H 3.882234 2.527409 -3.404946
H 4.177414 3.022358 0.863861
H -4.607604 -1.020650 0.116894
H -1.205891 -3.610335 0.713111
H 3.608685 -0.754731 1.729761
H 0.378369 -3.358068 0.506289
H -1.547238 3.371038 1.946872
H -0.722605 2.966257 -2.291061
H 5.152113 3.300585 -1.409621
H -6.133740 -2.942302 0.462745
H -2.750178 -5.537712 1.061889
H 5.103648 -2.729723 1.987272
H 1.882324 -5.330242 0.787572
H -2.575886 5.579538 1.518624
H -1.760998 5.170894 -2.687497
H -5.211772 -5.203711 0.935408
H 4.239624 -5.014706 1.517479
H -2.691950 6.485528 -0.793624


%chk=000222511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222511

0 1
O 0.977284 0.120673 1.838506
N -0.737051 -1.185524 -0.652407
N -0.380231 1.886694 0.161148
C 0.495646 -0.379085 -0.517048
C 0.382838 1.162616 -0.850567
C 1.782615 1.736539 -1.146920
C 1.117528 -0.691387 0.868397
C -1.855326 -0.920146 0.286517
C -1.173362 -1.411951 -2.043359
C -2.744146 -2.146381 0.492542
C 1.863059 -1.974073 1.064722
C -1.065289 3.082172 -0.080879
C 2.358367 1.554604 -2.430504
C 2.530560 2.412603 -0.153223
C 3.656386 2.032578 -2.716682
C 3.828593 2.892999 -0.435671
C -4.153772 -2.014260 0.519342
C -2.171729 -3.426245 0.707086
C 2.572319 -2.154338 2.284786
C 1.891372 -3.007488 0.087766
C -1.795973 3.691673 0.984613
C -1.082725 3.713857 -1.360269
C 4.398093 2.703296 -1.716302
C -4.979650 -3.136492 0.763526
C -2.993071 -4.549049 0.947403
C 3.303470 -3.334988 2.518860
C 2.620761 -4.190141 0.325363
C -2.521872 4.878807 0.772511
C -1.823686 4.898771 -1.559791
C -4.401342 -4.408117 0.978753
C 3.330984 -4.356374 1.538720
C -2.550705 5.493769 -0.503766
H 1.199114 -0.772024 -1.276555
H -0.189026 1.195151 -1.802304
H -2.479428 -0.061072 -0.048663
H -1.420065 -0.624010 1.258756
H -0.213413 1.590020 1.127070
H -0.318458 -1.749423 -2.658119
H -1.611341 -0.505132 -2.524515
H -1.941495 -2.204053 -2.059616
H 1.780778 1.050308 -3.218087
H 2.086935 2.569414 0.835883
H 4.084556 1.891801 -3.715832
H 4.394884 3.418675 0.341618
H -4.607122 -1.029592 0.348344
H -1.080918 -3.528407 0.674763
H 2.535594 -1.351781 3.028569
H 1.316431 -2.899215 -0.836369
H -1.790821 3.220401 1.975849
H -0.494944 3.304450 -2.187830
H 5.403672 3.079892 -1.934921
H -6.069212 -3.019059 0.781125
H -2.538490 -5.532511 1.114594
H 3.851950 -3.462335 3.458345
H 2.633064 -4.984300 -0.428890
H -3.073123 5.325804 1.608436
H -1.819026 5.368039 -2.550978
H -5.039225 -5.279323 1.166376
H 3.899221 -5.275695 1.719613
H -3.118135 6.416059 -0.665936


