%chk=000245449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245449

0 1
O -1.718434 2.596213 0.325610
O 2.933670 0.209821 -0.141873
O 2.181761 -1.913342 0.012584
N -1.594981 0.270322 0.415903
C -0.570384 -0.704077 0.316897
C -3.042910 -0.009456 0.533055
C 0.456216 1.418070 0.111138
C 0.641504 -0.075530 0.144000
C -1.042559 1.601128 0.281922
C -3.667568 -0.320112 -0.837575
C -0.842891 -2.149377 0.414467
C 1.927661 -0.721395 0.008420
C -5.150500 -0.643632 -0.696229
C 4.295415 -0.324295 -0.291785
C 5.155309 0.913511 -0.431262
H -3.528095 0.893854 0.978687
H -3.201744 -0.849953 1.242743
H 1.023147 1.926201 0.918475
H 0.818179 1.863237 -0.838331
H -3.531867 0.548284 -1.515225
H -3.137495 -1.162565 -1.322691
H -1.575564 -2.495274 -0.329971
H -1.220254 -2.434943 1.408858
H 0.088806 -2.737702 0.250843
H -5.709742 0.193585 -0.260012
H -5.601069 -0.854985 -1.674198
H -5.322327 -1.521480 -0.063065
H 4.522073 -0.922205 0.607661
H 4.304703 -0.973186 -1.184342
H 6.212737 0.650447 -0.551461
H 4.853799 1.514867 -1.299871
H 5.065103 1.564969 0.448828


%chk=000245449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245449

0 1
O -1.831002 2.555912 0.249133
O 2.971817 0.255532 -0.139927
O 2.239777 -1.957827 0.072114
N -1.601049 0.200923 0.372589
C -0.548592 -0.744980 0.311657
C -3.039838 -0.084321 0.502823
C 0.409914 1.404796 0.079467
C 0.660568 -0.089782 0.138949
C -1.108084 1.526664 0.234647
C -3.744347 -0.286422 -0.860935
C -0.820607 -2.213929 0.449579
C 1.968764 -0.722674 0.030756
C -5.251380 -0.563279 -0.679529
C 4.362182 -0.267046 -0.269074
C 5.275362 0.943705 -0.435734
H -3.490644 0.782954 1.019127
H -3.175087 -0.975175 1.142754
H 0.923662 1.962027 0.883500
H 0.738036 1.863122 -0.870741
H -3.596401 0.623207 -1.472000
H -3.268096 -1.124423 -1.406302
H -1.557122 -2.559273 -0.299488
H -1.232802 -2.448203 1.449924
H 0.119946 -2.769220 0.318875
H -5.750599 0.277489 -0.163048
H -5.748479 -0.699852 -1.656154
H -5.424218 -1.478656 -0.082365
H 4.601439 -0.856208 0.635128
H 4.401546 -0.949132 -1.138137
H 6.324620 0.610863 -0.536829
H 5.005899 1.520607 -1.337167
H 5.206511 1.613603 0.438611


