%chk=000202506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202506

1 1
O 1.219543 0.187246 0.698853
O 1.138498 -1.858146 -0.291489
N -2.756042 1.062350 0.281378
C -3.407480 0.507413 -0.991413
C -1.231589 0.931942 0.181057
C -3.043338 -0.960473 -1.236349
C -3.256910 0.320487 1.500901
C -3.116954 2.526744 0.417334
C -0.813190 -0.434025 -0.273767
C -1.618276 -1.280638 -0.932640
C 0.602767 -0.822602 0.010470
C 2.642373 0.010139 1.051699
C 3.501255 0.322789 -0.163816
C 4.986184 0.386617 0.222284
C 5.862431 0.688607 -0.989003
H -3.070568 1.126729 -1.858930
H -4.514081 0.626534 -0.926945
H -0.763895 1.174289 1.172325
H -0.830020 1.693589 -0.535356
H -3.268054 -1.211847 -2.304636
H -3.708328 -1.645544 -0.657699
H -2.919062 -0.735488 1.499649
H -2.879002 0.771761 2.438468
H -4.360672 0.317324 1.557124
H -2.800329 3.115597 -0.464842
H -4.208105 2.673048 0.534292
H -2.635622 2.987055 1.302772
H -1.260937 -2.268767 -1.265047
H 2.783533 -1.017732 1.429954
H 2.738617 0.749196 1.867669
H 3.186340 1.280447 -0.622629
H 3.349800 -0.450720 -0.946435
H 5.301395 -0.574924 0.676805
H 5.146683 1.160065 0.999730
H 5.767167 -0.080321 -1.765399
H 5.613767 1.652458 -1.447616
H 6.923100 0.729398 -0.707750


%chk=000202506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202506

1 1
O 1.241479 0.209175 0.702896
O 1.097591 -1.918174 -0.272977
N -2.824937 1.071818 0.271510
C -3.431775 0.477688 -1.020629
C -1.285831 0.945510 0.211760
C -3.108193 -1.016141 -1.172065
C -3.360751 0.346847 1.504919
C -3.196970 2.548792 0.361275
C -0.844014 -0.439483 -0.220009
C -1.667872 -1.323802 -0.845170
C 0.582009 -0.824826 0.046488
C 2.704914 -0.002700 1.010951
C 3.582271 0.432533 -0.167208
C 5.086416 0.292378 0.178703
C 5.993473 0.729756 -0.991190
H -2.994531 1.057500 -1.851714
H -4.517887 0.666332 -0.987348
H -0.892451 1.192419 1.211535
H -0.923432 1.721156 -0.487252
H -3.323376 -1.304668 -2.218773
H -3.782981 -1.644592 -0.556824
H -2.963325 -0.677073 1.530517
H -3.031363 0.891527 2.402924
H -4.460716 0.328571 1.461529
H -2.908131 3.053335 -0.573367
H -4.283349 2.640359 0.514242
H -2.661647 3.003028 1.209306
H -1.265217 -2.308658 -1.111235
H 2.849680 -1.070398 1.251920
H 2.869639 0.620165 1.904883
H 3.359658 1.485443 -0.427797
H 3.349930 -0.189409 -1.052299
H 5.307777 -0.760621 0.443621
H 5.319988 0.900725 1.075595
H 5.808833 0.113802 -1.890518
H 5.815982 1.787199 -1.261576
H 7.060106 0.625083 -0.725620


