%chk=000236856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236856

0 1
O 3.728995 -1.264334 0.135687
O 3.872912 0.992556 0.068734
O -0.448153 3.361072 -0.075107
O -2.358227 2.363396 -0.075786
O -2.876377 -2.536744 0.066393
N -2.525684 -0.246719 0.001281
N -1.124662 2.350238 -0.055200
C -1.126046 -0.198213 0.022695
C -0.445791 1.060065 -0.004540
C 1.705040 -0.082345 0.065767
C 0.968142 1.093484 0.017768
C -0.343570 -1.383354 0.071581
C 1.034077 -1.330866 0.092701
C 3.179353 0.001955 0.087563
C -3.348595 -1.425238 0.024276
C -4.810515 -1.109628 -0.009202
C 5.181107 -1.332327 0.161206
H 1.482921 2.070336 -0.003525
H -0.849677 -2.360941 0.092936
H 1.628632 -2.252693 0.130555
H -3.021746 0.679095 -0.035236
H -5.137701 -0.512994 0.856570
H -5.401246 -2.043085 0.006275
H -5.108118 -0.561002 -0.916359
H 5.584776 -0.883440 -0.752088
H 5.366073 -2.410568 0.207096
H 5.557680 -0.811507 1.047557


%chk=000236856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236856

0 1
O 3.805132 -1.289381 0.138110
O 3.851371 1.041820 0.065806
O -0.440384 3.381240 -0.077726
O -2.449623 2.326996 -0.077145
O -3.007043 -2.604694 0.068931
N -2.553294 -0.289377 0.002420
N -1.136668 2.301968 -0.054216
C -1.154893 -0.257103 0.023966
C -0.446629 1.002373 -0.003393
C 1.714452 -0.137180 0.067890
C 0.964454 1.050091 0.018515
C -0.365664 -1.447581 0.073176
C 1.032438 -1.386480 0.094542
C 3.201012 -0.031052 0.090610
C -3.410689 -1.409661 0.024974
C -4.885047 -1.028425 -0.012523
C 5.287315 -1.281924 0.161573
H 1.472300 2.018304 -0.002887
H -0.889077 -2.404362 0.093591
H 1.618852 -2.308427 0.132509
H -2.976895 0.657465 -0.036047
H -5.155831 -0.402992 0.857925
H -5.489762 -1.946082 0.002986
H -5.124031 -0.453733 -0.926161
H 5.679321 -0.793614 -0.746250
H 5.571788 -2.342494 0.198027
H 5.650696 -0.739498 1.050398


