%chk=000269438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269438

0 1
O -2.132305 0.468857 1.225860
O -3.081593 -2.435104 0.038489
O -2.794321 0.480466 -1.991429
O -5.583659 1.076660 0.329910
O 0.803257 -1.638056 1.972329
O 5.054949 -0.942161 0.049309
N -0.113976 -0.348249 0.300178
N 2.312230 -0.444299 0.661521
N 3.756256 0.815234 -0.743417
C -2.352420 -1.303176 -0.393668
C -3.298803 -0.142289 -0.802986
C -1.476174 -0.721561 0.751829
C -3.155346 0.926201 0.300875
C -4.422317 1.078037 1.162328
C 0.075885 0.548631 -0.739726
C 1.055653 -0.878674 1.070368
C 1.340299 0.932377 -1.106050
C 2.462525 0.395545 -0.371175
C 4.999394 0.183482 -0.361160
C 6.180047 1.082300 -0.600904
H -1.758629 -1.698793 -1.249429
H -4.348655 -0.477032 -0.956340
H -1.394426 -1.389420 1.652623
H -2.795357 1.893431 -0.112217
H -4.384454 1.990100 1.782747
H -4.572363 0.202413 1.824644
H -3.629980 -2.235411 0.832213
H -3.122531 0.013208 -2.790253
H -0.816034 0.929431 -1.269065
H -5.663305 1.926055 -0.153997
H 1.492348 1.613375 -1.935188
H 3.799459 1.654162 -1.327412
H 7.101456 0.584719 -0.250029
H 6.105819 2.030615 -0.050641
H 6.331372 1.313028 -1.663037


%chk=000269438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269438

0 1
O -2.188077 0.549236 1.210942
O -3.203067 -2.370159 0.247935
O -2.680891 0.539966 -2.032973
O -5.751943 1.282519 0.252518
O 0.764061 -1.751621 1.938887
O 5.220226 -0.776533 0.467642
N -0.095654 -0.299629 0.290529
N 2.310695 -0.521784 0.671172
N 3.808378 0.757831 -0.661156
C -2.386754 -1.299695 -0.329676
C -3.278222 -0.136172 -0.864635
C -1.463895 -0.645417 0.737609
C -3.301616 0.897134 0.277611
C -4.609636 0.907921 1.093488
C 0.134966 0.622564 -0.707858
C 1.024817 -0.917040 1.033458
C 1.423284 0.980467 -1.054026
C 2.502147 0.362474 -0.311553
C 5.068912 0.236308 -0.248339
C 6.238982 1.074394 -0.774282
H -1.814170 -1.793596 -1.129955
H -4.289132 -0.511249 -1.107280
H -1.303240 -1.322905 1.594485
H -3.102271 1.902781 -0.140620
H -4.491672 1.580692 1.965463
H -4.852180 -0.101975 1.466012
H -3.590032 -2.076413 1.112466
H -2.775688 -0.034792 -2.833210
H -0.743930 1.026219 -1.220260
H -5.677684 2.237180 -0.000368
H 1.598180 1.699614 -1.857779
H 3.856770 1.534451 -1.324976
H 7.157726 0.473488 -0.709972
H 6.369289 1.974100 -0.144195
H 6.095622 1.403743 -1.820006


