%chk=000224716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224716

0 1
O 2.208606 0.530611 0.587108
O -3.607515 -0.234649 0.327423
O -3.153161 1.988783 0.330404
O 0.124408 -3.423376 0.398274
O 2.224062 -2.645760 0.510632
O 2.706231 -0.016876 -1.570929
N -1.035263 -0.985429 0.379291
C -0.180772 1.140242 0.405956
C -1.368746 0.362791 0.375197
C 0.885942 0.206395 0.443366
C 0.348800 -1.109558 0.424189
C -0.083226 2.608043 0.402067
C -2.752114 0.850091 0.338028
C 1.046700 -2.388215 0.448279
C 3.105022 0.290866 -0.485227
C 4.480338 0.512548 0.069362
C -5.046755 0.029729 0.247679
C 5.377438 1.190138 -0.955739
C -5.423820 0.380734 -1.174808
H -1.690015 -1.755477 0.353396
H 0.525547 2.975283 1.242976
H 0.388371 2.975345 -0.523655
H -1.075598 3.089410 0.474317
H 4.892113 -0.481845 0.365454
H 4.432617 1.101993 1.012962
H -5.451196 -0.942815 0.583288
H -5.294518 0.831173 0.966770
H 5.395242 0.636516 -1.906379
H 6.410749 1.254288 -0.592392
H 5.042911 2.210874 -1.181171
H -6.512134 0.433561 -1.300306
H -5.012142 1.358932 -1.467834
H -5.040550 -0.357585 -1.891186
H 0.561628 -4.316761 0.405009


%chk=000224716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224716

0 1
O 2.201445 0.725966 0.652920
O -3.625975 -0.301371 0.267940
O -3.274341 2.010532 0.494938
O 0.190787 -3.312229 0.177808
O 2.329629 -2.388196 0.398884
O 2.741101 0.099099 -1.550126
N -1.016160 -0.873728 0.311634
C -0.238394 1.266293 0.537059
C -1.403213 0.457601 0.419165
C 0.856860 0.358231 0.502009
C 0.366291 -0.966175 0.364336
C -0.155319 2.762208 0.661735
C -2.816121 0.844038 0.400249
C 1.086899 -2.227175 0.318114
C 3.121771 0.439878 -0.421508
C 4.535167 0.621467 0.082599
C -5.100471 -0.067265 0.198525
C 5.562200 0.771500 -1.054517
C -5.538694 0.206139 -1.242657
H -1.657955 -1.661103 0.214662
H 0.450843 3.048880 1.539838
H 0.335880 3.202400 -0.226241
H -1.159039 3.202920 0.757602
H 4.756216 -0.275582 0.695343
H 4.556155 1.478934 0.778658
H -5.531214 -1.000852 0.594701
H -5.349649 0.779231 0.862044
H 5.500691 -0.080257 -1.752556
H 6.584853 0.813902 -0.641081
H 5.384904 1.693787 -1.634870
H -6.639926 0.298512 -1.284579
H -5.100887 1.147965 -1.613388
H -5.236114 -0.617600 -1.911923
H 0.710982 -4.157949 0.144485


