%chk=000180795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180795

0 1
S 5.418599 -0.537938 -0.995832
F 5.717795 0.312360 1.458157
F 5.502725 1.859875 0.052039
F 8.100647 -0.515720 -0.151586
F 8.242948 1.170585 1.108076
F -5.132473 -2.232372 -1.481753
F -4.821220 1.180134 1.718080
O -1.108052 1.154192 -2.055314
O -2.743959 -1.358879 0.789287
N -0.516699 -0.417672 -0.423282
N -2.809839 0.213756 -0.881856
C 1.665388 -1.276120 0.269216
C 0.906460 -0.405120 -0.566241
C 3.057268 -1.276975 0.142242
C 3.680628 -0.439065 -0.787797
C 1.550060 0.432145 -1.492832
C 2.941467 0.418117 -1.602075
C 1.016023 -2.176696 1.267910
C 6.077522 0.651454 0.209035
C -1.395753 0.363390 -1.177348
C -4.894148 -0.532849 0.117299
C -3.407243 -0.630497 0.076986
C 7.607051 0.736266 -0.005438
C -5.714361 -1.375468 -0.650107
C -5.556107 0.359093 0.976355
C -7.109151 -1.343932 -0.585243
C -6.947583 0.427516 1.075814
C -7.717008 -0.435737 0.288349
H 3.657143 -1.936398 0.775486
H 0.967677 1.104804 -2.135097
H 3.433595 1.076478 -2.321471
H 1.747901 -2.778612 1.826159
H 0.446549 -1.610407 2.021326
H 0.328331 -2.891771 0.790776
H -0.911670 -1.056984 0.301111
H -3.410243 0.816392 -1.467680
H 7.910598 1.365541 -0.877579
H -7.713414 -2.015390 -1.197622
H -7.426081 1.134369 1.755863
H -8.807774 -0.399767 0.356086


%chk=000180795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180795

0 1
S 5.529148 -0.562758 -1.137389
F 5.689786 -0.348101 1.596172
F 5.423204 1.633428 0.512953
F 8.282668 -0.595225 0.144776
F 8.003304 1.099031 1.670083
F -4.860921 -2.951145 0.242271
F -5.005174 1.893015 -0.089100
O -1.126484 1.630022 -1.984807
O -2.612927 -1.382933 0.570721
N -0.516939 -0.208348 -0.610054
N -2.785145 0.440524 -0.877885
C 1.590895 -1.266009 -0.029656
C 0.895096 -0.239982 -0.749795
C 2.995555 -1.331171 -0.151795
C 3.697337 -0.402977 -0.952349
C 1.604515 0.686970 -1.559084
C 3.007456 0.604936 -1.656263
C 0.847205 -2.260492 0.843659
C 6.062194 0.353129 0.413079
C -1.394783 0.674853 -1.205021
C -4.829994 -0.524487 0.102023
C -3.331740 -0.525848 -0.038539
C 7.585562 0.621938 0.400391
C -5.546143 -1.737578 0.296226
C -5.633646 0.644037 0.117593
C -6.933664 -1.791036 0.508347
C -7.018010 0.651907 0.331615
C -7.667811 -0.585983 0.531966
H 3.546568 -2.109044 0.385719
H 1.053614 1.461218 -2.095710
H 3.556598 1.323887 -2.270926
H 1.549074 -2.971273 1.308377
H 0.293984 -1.760759 1.662442
H 0.108320 -2.852094 0.268822
H -0.971738 -0.913300 0.002494
H -3.398765 1.143761 -1.300618
H 7.867421 1.362173 -0.367920
H -7.414867 -2.762685 0.644982
H -7.559131 1.601122 0.340564
H -8.748025 -0.610624 0.701135


