%chk=000208852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208852

0 1
O -3.008613 -1.803824 2.217764
O -5.299759 0.795649 -1.038259
O 2.811690 1.569214 1.481363
O 4.227777 -0.553733 0.195512
N -1.786307 1.232979 -1.046809
N -3.131929 1.436275 -1.171797
C -2.254910 -0.892813 0.183967
C -3.651341 -0.885233 -0.456560
C -1.355500 0.161758 -0.436805
C -2.336923 -0.636499 1.701885
C 0.108313 -0.033858 -0.306792
C -4.140021 0.473293 -0.884861
C 0.854657 0.843150 0.495591
C 0.732827 -1.095453 -0.967111
C 2.231645 0.644346 0.646576
C 2.111959 -1.297840 -0.826393
C 2.865756 -0.441390 -0.023826
C 4.251356 1.530819 1.651365
C 4.933870 -1.597044 -0.519630
H -1.811420 -1.913961 0.038870
H -4.384294 -1.338437 0.256392
H -3.676264 -1.557066 -1.342619
H -2.925835 0.264058 1.946172
H -1.331934 -0.569756 2.158125
H -3.382691 2.348796 -1.572726
H 0.382556 1.690969 0.993235
H 0.155805 -1.765307 -1.601970
H 2.580081 -2.127884 -1.349912
H -3.159178 -1.706329 3.177800
H 4.749305 1.669807 0.686494
H 4.547895 0.583857 2.115540
H 4.419666 2.381818 2.321160
H 4.847943 -1.446130 -1.599567
H 4.569853 -2.581791 -0.212905
H 5.965666 -1.436839 -0.181168


%chk=000208852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208852

0 1
O -3.467089 -2.764682 0.712598
O -5.286912 1.304005 -0.358747
O 3.221704 1.967944 0.902555
O 4.363040 -0.604576 0.523134
N -1.712610 1.480826 0.320667
N -3.093222 1.721939 0.264702
C -2.285535 -0.885483 -0.226429
C -3.538262 -0.348948 -0.959745
C -1.297017 0.244077 0.064359
C -2.669269 -1.590118 1.097836
C 0.160725 -0.007271 0.143222
C -4.081300 0.925011 -0.328773
C 1.059187 1.061205 0.428624
C 0.707890 -1.303288 -0.047274
C 2.443174 0.858688 0.531790
C 2.097198 -1.525710 0.058803
C 2.978283 -0.461517 0.357881
C 4.395614 2.298371 0.067318
C 4.922373 -1.957274 0.431956
H -1.818900 -1.653029 -0.867495
H -4.331468 -1.113310 -0.965327
H -3.293668 -0.114426 -2.014809
H -3.253149 -0.900981 1.744278
H -1.752303 -1.896925 1.640500
H -3.364533 2.648894 0.599803
H 0.667285 2.070301 0.578138
H 0.062521 -2.156661 -0.276898
H 2.484552 -2.538865 -0.083368
H -3.882619 -3.166033 1.515480
H 4.082104 2.493193 -0.976729
H 5.143254 1.489114 0.094011
H 4.805011 3.218746 0.510619
H 4.774282 -2.387160 -0.577423
H 4.474211 -2.624742 1.192458
H 5.997149 -1.835715 0.630384


