%chk=000183113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183113

0 1
O -5.387115 -0.532075 -0.976753
O -2.223849 3.329679 -0.407752
O -4.686936 3.052865 0.649066
O -4.059630 -1.148302 2.290909
O -6.196063 -1.018150 1.611803
O 6.752990 -1.717865 -0.504196
N -0.940886 1.457475 -0.349525
N 1.219091 -1.428821 -0.238722
N 6.209362 1.133694 0.981715
C -0.805568 0.055524 -0.264125
C 0.384639 2.159361 -0.431608
C 1.367902 1.021646 -0.385508
C 0.643702 -0.245616 -0.288042
C -3.212239 -0.154810 -0.181809
C -4.412909 -1.094774 -0.095256
C -1.901482 -0.749141 -0.182567
C -3.363472 1.205612 -0.236599
C -2.204866 2.108416 -0.334573
C 2.726279 1.009317 -0.421399
C 3.409810 -0.260424 -0.359994
C -4.134975 -2.558832 -0.489962
C 2.616414 -1.448712 -0.277718
C 4.829087 -0.366021 -0.389440
C -4.694209 1.925818 -0.223451
C -5.023835 -1.065471 1.329786
C 5.732469 0.841130 -0.413083
C 3.241604 -2.734601 -0.231212
C -5.381625 -3.432846 -0.457695
C 5.389749 -1.643160 -0.379002
C 4.608046 -2.832481 -0.288025
C 5.143795 1.771970 1.807235
C 7.422053 2.004502 0.935931
H 0.493198 2.869641 0.419294
H 0.443927 2.754061 -1.371123
H -1.770966 -1.828589 -0.096508
H 3.316329 1.923966 -0.499335
H -3.356154 -2.984761 0.178568
H -3.703756 -2.564178 -1.515335
H -5.518828 1.306084 0.187962
H -4.959733 2.246572 -1.250794
H 6.626581 0.602185 -1.041598
H 5.229856 1.704631 -0.900579
H 2.605421 -3.620511 -0.154329
H -6.142361 -3.090421 -1.171267
H -5.849148 -3.464846 0.535478
H -5.136973 -4.468759 -0.728576
H -6.247522 -1.021922 -0.906957
H 5.103778 -3.800497 -0.260710
H -4.020891 3.729224 0.348597
H -4.431781 -1.100223 3.216851
H 5.525669 1.909113 2.832614
H 4.286102 1.082831 1.880127
H 4.786914 2.744884 1.442170
H 8.225216 1.470168 0.401946
H 7.780763 2.168832 1.965300
H 7.276301 2.985221 0.461718
H 7.085127 -2.645713 -0.408944


%chk=000183113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183113

0 1
O -5.304642 -0.750452 -1.338732
O -2.247891 3.355555 -0.268084
O -4.718862 3.007859 0.817322
O -4.578625 -1.084343 2.248379
O -6.561492 -0.778691 1.078729
O 6.827219 -1.696757 -0.481845
N -0.965786 1.415738 -0.258399
N 1.217731 -1.448995 -0.237002
N 6.356518 1.210233 0.893804
C -0.810228 0.031339 -0.227616
C 0.327747 2.150939 -0.305277
C 1.332415 1.017028 -0.304510
C 0.631006 -0.243093 -0.254440
C -3.232201 -0.210031 -0.186355
C -4.471839 -1.133061 -0.191548
C -1.921302 -0.794149 -0.186269
C -3.383548 1.189083 -0.207605
C -2.209055 2.067901 -0.244464
C 2.717276 1.022741 -0.341983
C 3.418555 -0.239079 -0.332913
C -4.126875 -2.654172 -0.304334
C 2.606221 -1.453827 -0.276859
C 4.852529 -0.334713 -0.376426
C -4.701582 1.958074 -0.208863
C -5.319892 -0.953550 1.089807
C 5.777922 0.872803 -0.432429
C 3.253905 -2.727005 -0.261691
C -5.369034 -3.562412 -0.387204
C 5.430722 -1.619531 -0.381046
C 4.641906 -2.811309 -0.316546
C 5.380813 1.765026 1.847085
C 7.574227 2.034468 0.777917
H 0.403520 2.824574 0.568022
H 0.362879 2.786042 -1.209280
H -1.755404 -1.870125 -0.163847
H 3.276678 1.961735 -0.376030
H -3.497886 -2.951903 0.554889
H -3.529822 -2.775216 -1.226846
H -5.563821 1.318504 0.012643
H -4.856199 2.394877 -1.219107
H 6.624816 0.620749 -1.094761
H 5.259294 1.750780 -0.894736
H 2.621964 -3.617894 -0.214162
H -5.997341 -3.292139 -1.253616
H -5.994343 -3.508544 0.522824
H -5.056335 -4.613931 -0.513120
H -6.256961 -0.770506 -1.041651
H 5.136839 -3.791292 -0.317319
H -3.950179 3.610217 0.592726
H -5.161123 -0.955222 3.045570
H 5.864916 1.904725 2.830025
H 4.540146 1.063190 1.980530
H 4.960938 2.756148 1.528756
H 8.318013 1.510964 0.151792
H 8.014875 2.183007 1.780040
H 7.391499 3.046351 0.332100
H 7.133580 -2.636810 -0.453045


