%chk=000225868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225868

0 1
O -0.838126 1.203869 0.279890
O 1.079465 -1.247569 1.465175
O -2.972187 1.270372 -0.503482
N 1.868421 0.238981 -0.037756
C -0.655173 -0.247350 0.112349
C -1.626660 -0.975255 1.051874
C -0.863260 -0.653590 -1.350572
C -1.531313 -2.496328 0.869651
C -0.726806 -2.172501 -1.508707
C -1.719704 -2.906908 -0.596131
C 0.821391 -0.438859 0.581056
C 3.260256 -0.055725 0.417993
C 1.721760 1.359667 -0.998220
C -2.024910 1.834670 -0.013030
C 3.977314 -0.972233 -0.571564
C 1.724246 2.717646 -0.296283
C -1.896629 3.272236 0.362785
H -2.661235 -0.632829 0.841650
H -1.406462 -0.708351 2.104200
H -0.156594 -0.118746 -2.014945
H -1.882197 -0.335854 -1.669809
H -2.286558 -2.993135 1.505651
H -0.540090 -2.843305 1.238264
H 0.308216 -2.488571 -1.269879
H -0.900099 -2.454234 -2.563966
H -1.588754 -4.000083 -0.699596
H -2.756604 -2.688507 -0.917725
H 3.214059 -0.545936 1.423297
H 3.814826 0.898066 0.546162
H 0.773597 1.229456 -1.575566
H 2.554176 1.304196 -1.736208
H 4.059302 -0.526168 -1.568004
H 4.990676 -1.203278 -0.223705
H 3.445123 -1.926706 -0.683288
H 1.586751 3.533567 -1.012373
H 0.910666 2.771795 0.442587
H 2.660628 2.901119 0.242321
H -1.376004 3.842192 -0.422050
H -1.325502 3.407887 1.294717
H -2.890504 3.727002 0.500835


%chk=000225868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225868

0 1
O -0.863472 1.241090 0.256221
O 1.195888 -1.356638 1.332694
O -3.088319 1.230582 -0.520196
N 1.884407 0.361693 -0.044989
C -0.608308 -0.256209 0.087994
C -1.547813 -1.015698 1.061088
C -0.831763 -0.710060 -1.383600
C -1.535719 -2.555050 0.867927
C -0.719183 -2.249769 -1.518360
C -1.749243 -2.955901 -0.608532
C 0.887198 -0.429625 0.511904
C 3.283940 0.019101 0.336705
C 1.735092 1.529794 -0.945894
C -2.102901 1.825498 -0.027529
C 3.858682 -1.120561 -0.530300
C 1.943758 2.878379 -0.222040
C -2.075176 3.289662 0.369047
H -2.572669 -0.643636 0.882068
H -1.259276 -0.769153 2.097858
H -0.108848 -0.218766 -2.059102
H -1.847049 -0.399764 -1.687316
H -2.333112 -2.992363 1.499799
H -0.570208 -2.950628 1.226326
H 0.302983 -2.586816 -1.253406
H -0.885361 -2.523990 -2.577906
H -1.663864 -4.054337 -0.716804
H -2.772432 -2.675638 -0.934255
H 3.285922 -0.285727 1.396635
H 3.895605 0.933042 0.233414
H 0.737121 1.521622 -1.402163
H 2.476802 1.419764 -1.762759
H 3.847714 -0.856540 -1.603929
H 4.904230 -1.332914 -0.240193
H 3.267252 -2.039994 -0.384135
H 1.842076 3.713528 -0.940203
H 1.189539 2.996985 0.573471
H 2.946864 2.949140 0.235535
H -1.143550 3.773277 0.032222
H -2.112949 3.374480 1.470241
H -2.948359 3.802842 -0.059939


