%chk=000260314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260314

0 1
O -2.237672 -3.296745 1.399972
O -2.937095 -0.677783 0.334651
N 1.019481 -1.984877 0.334422
N 3.701783 -0.901433 0.227705
C 1.619930 -1.280960 1.516538
C 2.103631 -2.658961 -0.455236
C 2.625146 -0.221922 1.023043
C 3.105911 -1.597886 -0.955578
C -0.015335 -2.974864 0.764524
C -1.339205 -2.231312 1.034894
C 4.825091 -0.037578 -0.057765
C -1.859952 -1.501206 -0.211079
C 5.629658 0.343019 1.039755
C 5.194591 0.364500 -1.352131
C 6.774537 1.105592 0.835845
C 6.352451 1.123306 -1.546614
C 7.149899 1.503545 -0.460475
C -3.640779 0.126015 -0.532559
C -4.670625 0.882738 0.138559
C 8.386653 2.318138 -0.660902
C -5.473555 1.745337 -0.650934
C -3.422326 0.224703 -1.888916
C -4.897145 0.790640 1.543512
C -5.239267 1.838418 -2.061398
C -4.244666 1.100755 -2.651594
C -6.502005 2.503684 -0.007964
C -5.892060 1.531311 2.134870
C -6.703017 2.396721 1.347019
H 2.125608 -1.977760 2.221005
H 0.804026 -0.776491 2.077112
H 1.640393 -3.162378 -1.330386
H 2.643680 -3.435462 0.130324
H 2.095735 0.555250 0.428083
H 3.084138 0.287579 1.896793
H 3.922275 -2.103770 -1.516238
H 2.593845 -0.899602 -1.653854
H -0.185014 -3.728027 -0.037225
H 0.256996 -3.561037 1.670167
H -1.269119 -1.529325 1.896787
H -2.278744 -2.189880 -0.962332
H -1.089679 -0.844846 -0.657578
H 5.360711 0.019681 2.044238
H 4.589837 0.099276 -2.215236
H -3.152656 -2.948737 1.479360
H 7.389806 1.392217 1.687327
H 6.628746 1.422524 -2.556360
H 8.345766 3.254429 -0.086792
H 9.280357 1.770120 -0.329781
H 8.548243 2.592044 -1.711141
H -2.647486 -0.337758 -2.396328
H -4.261039 0.122890 2.126618
H -5.865287 2.505086 -2.649217
H -4.062450 1.170226 -3.724440
H -7.118662 3.164602 -0.614248
H -6.074159 1.469339 3.205520
H -7.485525 2.972616 1.840258


%chk=000260314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260314

0 1
O -2.221731 -3.057683 1.487221
O -3.079001 -0.550824 0.480589
N 1.095960 -1.791763 0.303823
N 3.776111 -0.699500 0.070047
C 1.769067 -1.162943 1.469353
C 2.115866 -2.432040 -0.563660
C 2.782177 -0.108813 0.996097
C 3.144307 -1.401418 -1.062439
C 0.013580 -2.728928 0.692389
C -1.280251 -1.999325 1.095393
C 5.020466 -0.040062 -0.128488
C -1.847832 -1.166745 -0.055751
C 5.718742 0.550364 0.969047
C 5.646294 0.025279 -1.407582
C 6.969733 1.166813 0.787814
C 6.909430 0.637257 -1.568888
C 7.600712 1.224741 -0.483611
C -3.855911 0.240679 -0.381615
C -5.049195 0.797928 0.209006
C 8.956551 1.887107 -0.659795
C -5.909406 1.614694 -0.620639
C -3.527625 0.490416 -1.719355
C -5.401999 0.569630 1.577875
C -5.555445 1.854300 -1.991141
C -4.388811 1.304090 -2.520126
C -7.099756 2.165961 -0.040482
C -6.569611 1.122432 2.112192
C -7.426781 1.925684 1.296155
H 2.296926 -1.930916 2.089354
H 1.014689 -0.668947 2.107573
H 1.609290 -2.882350 -1.437067
H 2.660562 -3.245593 -0.021211
H 2.228209 0.717257 0.492211
H 3.291343 0.315818 1.874721
H 3.920666 -1.941280 -1.631853
H 2.638377 -0.686862 -1.754646
H -0.219916 -3.380137 -0.170849
H 0.305470 -3.400134 1.534869
H -1.100670 -1.321013 1.956846
H -2.104233 -1.819037 -0.915174
H -1.124313 -0.391481 -0.369664
H 5.298437 0.503302 1.978908
H 5.147044 -0.379874 -2.292479
H -3.110025 -2.632871 1.610934
H 7.475301 1.603202 1.659083
H 7.357413 0.667802 -2.570261
H 8.940335 2.941922 -0.325350
H 9.740113 1.372566 -0.070702
H 9.274333 1.876746 -1.717050
H -2.620455 0.075096 -2.166129
H -4.737612 -0.038827 2.197909
H -6.211966 2.474620 -2.611398
H -4.116480 1.489265 -3.564895
H -7.752623 2.783935 -0.668472
H -6.831609 0.943116 3.160718
H -8.339844 2.353045 1.725243


