%chk=000228105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228105

0 1
O -2.179475 -0.909656 -1.416029
O -1.730323 0.435817 1.885579
O -4.510994 1.359959 1.018243
O -5.669586 -1.090970 -0.268021
O 5.250004 -0.212933 1.816513
O 6.025193 0.333282 -0.204663
N -0.425037 0.418041 -0.959413
C -2.350919 0.573075 0.595547
C -3.822861 0.130824 0.739280
C -1.470546 -0.365147 -0.276676
C -4.400091 -0.504035 -0.543452
C -3.429695 -1.545283 -1.120273
C 0.929755 0.276010 -0.589870
C 1.932399 0.554848 -1.550726
C 1.286983 -0.042562 0.740701
C 3.268627 0.506596 -1.177518
C 2.628001 -0.091491 1.096602
C 3.628601 0.176083 0.143615
C 5.052241 0.126781 0.488518
H -2.303331 1.635869 0.258414
H -3.943329 -0.542047 1.619879
H -1.071933 -1.206423 0.345009
H -4.654462 0.283471 -1.295990
H -3.269839 -2.404664 -0.447687
H -3.751780 -1.910421 -2.116211
H -0.628598 0.580144 -1.953399
H -1.969437 1.202323 2.455007
H -5.485763 1.213738 0.998207
H -5.594436 -1.845815 0.353453
H 1.663092 0.808052 -2.573145
H 0.512808 -0.209759 1.493788
H 4.055898 0.719625 -1.908354
H 2.919444 -0.334972 2.123640
H 6.215090 -0.245059 2.050432


%chk=000228105-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228105

0 1
O -2.260531 -0.790259 -1.570738
O -1.696785 1.187602 1.534775
O -4.565658 1.081814 1.420998
O -5.705503 -1.218786 -0.031965
O 5.296184 -0.412966 1.928798
O 6.093960 0.244029 -0.151453
N -0.362192 0.415124 -1.031483
C -2.438898 0.762377 0.350550
C -3.745211 0.063877 0.761653
C -1.510721 -0.210239 -0.422872
C -4.455697 -0.553697 -0.451771
C -3.483259 -1.507074 -1.174316
C 0.960407 0.303510 -0.596213
C 2.018161 0.604116 -1.509395
C 1.288584 -0.075367 0.740511
C 3.355044 0.504791 -1.105452
C 2.632619 -0.186861 1.129617
C 3.684199 0.096497 0.216933
C 5.106849 -0.000002 0.591243
H -2.690094 1.625811 -0.301137
H -3.498480 -0.751228 1.484351
H -1.180056 -1.012628 0.270871
H -4.795080 0.241761 -1.136041
H -3.225110 -2.367628 -0.513775
H -3.918404 -1.889091 -2.110436
H -0.531958 0.783457 -1.969699
H -2.296971 1.760735 2.077893
H -5.485078 0.721130 1.518297
H -5.482618 -2.041829 0.477132
H 1.776075 0.900871 -2.537280
H 0.492404 -0.213209 1.477065
H 4.169970 0.727995 -1.802039
H 2.884904 -0.472077 2.154973
H 6.274648 -0.449255 2.101403


