%chk=000271896.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271896

0 1
O 6.035911 -1.135234 0.961012
O -6.038948 -1.132854 -0.929017
O 0.874838 -0.147505 -1.175193
O -0.874546 -0.117591 1.185680
N 4.170724 0.513219 -0.419729
N -4.167615 0.539110 0.414631
N 2.184332 1.767995 -0.985097
N -2.176300 1.798390 0.952128
N 0.004005 1.672328 -0.014764
C 3.859495 -0.925594 -0.139384
C 5.643161 0.704965 -0.609388
C -3.861950 -0.906869 0.166981
C -5.639327 0.740760 0.599571
C 4.616913 -1.348241 1.127116
C 6.355340 0.239248 0.673560
C -4.620753 -1.355069 -1.089868
C -6.353076 0.248995 -0.672742
C 3.365334 1.050910 -1.557193
C -3.360362 1.099252 1.539879
C 1.034161 0.968068 -0.728687
C -1.029287 0.988323 0.714249
H 4.130887 -1.595214 -0.984156
H 2.759569 -1.030925 0.014161
H 5.846647 1.782490 -0.782167
H 6.040967 0.142888 -1.482092
H -2.762408 -1.019963 0.016191
H -4.136132 -1.556157 1.026592
H -6.039430 0.200014 1.484614
H -5.838682 1.822675 0.747978
H 4.560009 -2.436671 1.304363
H 4.272084 -0.795097 2.018161
H 6.079261 0.863071 1.542039
H 7.452289 0.209658 0.552623
H -4.568052 -2.447435 -1.242473
H -4.273604 -0.823528 -1.993078
H -6.074399 0.851987 -1.554997
H -7.450154 0.226411 -0.551475
H 3.002560 0.266289 -2.267628
H 3.940132 1.807290 -2.143111
H -3.932334 1.871084 2.108151
H -3.001006 0.329540 2.268123
H 2.450266 2.440412 -0.256166
H -2.439270 2.455401 0.208245
H 0.006151 2.694874 -0.026043


%chk=000271896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271896

0 1
O 6.548380 -1.026544 0.967858
O -6.559718 -1.020420 -0.928857
O 0.971915 -0.421820 -1.185913
O -0.962650 -0.394146 1.188189
N 4.489286 0.571885 -0.294467
N -4.484594 0.591596 0.289188
N 2.260304 1.467233 -0.645368
N -2.249661 1.484372 0.609117
N 0.004483 1.397800 -0.020011
C 4.162223 -0.734496 0.342267
C 5.880190 0.567835 -0.817246
C -4.168641 -0.729914 -0.321430
C -5.872692 0.606927 0.819105
C 5.162214 -1.019042 1.472246
C 6.854761 0.265162 0.335169
C -5.176088 -1.032278 -1.440083
C -6.855020 0.286058 -0.321664
C 3.487034 0.995831 -1.295152
C -3.474564 1.031013 1.275173
C 1.086683 0.710144 -0.649780
C -1.077140 0.725831 0.627334
H 4.198094 -1.563721 -0.404361
H 3.136135 -0.696070 0.748694
H 6.111950 1.562846 -1.244731
H 6.022122 -0.196965 -1.620225
H -3.144355 -0.706120 -0.733524
H -4.205636 -1.543052 0.442656
H -6.014775 -0.139785 1.638872
H -6.096364 1.612135 1.226561
H 5.000697 -2.020418 1.903038
H 5.059022 -0.248424 2.266534
H 6.794953 1.078297 1.091091
H 7.890030 0.175306 -0.033601
H -5.022892 -2.043656 -1.850061
H -5.072090 -0.279567 -2.251237
H -6.794417 1.082913 -1.094643
H -7.888858 0.210106 0.054186
H 3.180625 0.181512 -1.988018
H 3.933512 1.817959 -1.885936
H -3.914076 1.866678 1.852056
H -3.167389 0.229308 1.982209
H 2.377950 2.198936 0.059565
H -2.368548 2.200274 -0.111642
H 0.005005 2.420182 -0.031554


