%chk=000190521.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190521

0 1
S -0.320562 2.801304 0.779590
F 1.765797 3.722263 1.946452
F 1.703862 4.097144 -0.125510
N 1.701046 -1.709311 -0.450758
N -2.972295 -1.355852 -0.154676
N -0.638568 -1.541477 -0.361156
N 0.759665 0.424400 0.115851
N -1.663924 0.609428 0.258815
C 3.098022 -1.179465 -0.422470
C 4.056058 -2.332054 -0.056485
C 3.448596 -0.577604 -1.786998
C -4.258791 -0.606657 0.006150
C 3.898606 -2.779521 1.392187
C 0.598999 -0.924130 -0.233031
C -1.745379 -0.748141 -0.091771
C -5.297748 -1.574547 0.577677
C -4.696206 -0.030380 -1.342968
C -0.402400 1.092125 0.338778
C 1.486550 3.117827 0.774553
H 3.153802 -0.376543 0.363644
H 5.098458 -1.993633 -0.230116
H 3.914135 -3.192238 -0.739762
H 1.555654 -2.672969 -0.752877
H 4.457278 -0.150095 -1.786938
H 3.399742 -1.313437 -2.596524
H 2.755053 0.236140 -2.045352
H -4.085054 0.236875 0.732955
H 2.880329 -3.129247 1.604479
H 4.583655 -3.601557 1.630429
H 4.109460 -1.963925 2.094990
H -3.014525 -2.322976 -0.476798
H -6.238731 -1.048852 0.784128
H -5.534534 -2.395577 -0.108203
H -4.961965 -2.017263 1.524410
H -3.952286 0.685682 -1.721686
H -5.644369 0.511395 -1.250537
H -4.830209 -0.801507 -2.108287
H 2.159380 2.247075 0.596215


%chk=000190521-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190521

0 1
S -0.376939 2.889117 0.700726
F 1.948450 3.682072 1.868456
F 1.810740 4.114805 -0.361417
N 1.701551 -1.667432 -0.425615
N -2.950865 -1.356025 -0.140692
N -0.627226 -1.553232 -0.301786
N 0.741886 0.430541 0.086789
N -1.675209 0.592303 0.232475
C 3.091429 -1.157654 -0.406521
C 4.050878 -2.311167 -0.025351
C 3.464875 -0.511700 -1.761986
C -4.242241 -0.651473 0.042023
C 3.837238 -2.855250 1.403253
C 0.583013 -0.915040 -0.210618
C -1.724944 -0.761338 -0.070756
C -5.296894 -1.666369 0.525399
C -4.673014 0.067766 -1.258124
C -0.421889 1.088840 0.293626
C 1.477334 3.147350 0.633200
H 3.132811 -0.379889 0.378769
H 5.086397 -1.935484 -0.130205
H 3.945163 -3.130061 -0.768535
H 1.529845 -2.643920 -0.675962
H 4.476751 -0.069281 -1.713184
H 3.455371 -1.263168 -2.573311
H 2.749711 0.288561 -2.018597
H -4.074892 0.114295 0.820348
H 2.807377 -3.230128 1.545474
H 4.534028 -3.684796 1.620262
H 4.008148 -2.063325 2.155709
H -2.949252 -2.346773 -0.393007
H -6.260910 -1.157160 0.696656
H -5.467818 -2.455984 -0.232451
H -4.987190 -2.147080 1.470410
H -3.897810 0.788145 -1.569500
H -5.614631 0.623081 -1.094344
H -4.835866 -0.657839 -2.076727
H 1.971197 2.187392 0.413513


