%chk=000287108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287108

0 1
S 0.932083 1.173806 -0.576178
F -1.670676 2.067286 -1.211202
O 1.473889 2.476151 -0.259534
O 0.197152 0.935120 -1.792748
N -0.130486 0.747218 0.739095
N -6.805258 -0.441832 -0.067840
C 2.179589 -0.002427 -0.406158
C -1.520713 0.535884 0.594280
C 0.404918 0.930032 2.110782
C 1.987196 -1.303736 -0.884532
C 3.399701 0.348883 0.184161
C 4.222637 -1.907862 -0.158212
C -2.277230 1.184604 -0.419739
C -2.207738 -0.355017 1.443924
C 2.999740 -2.254510 -0.759562
C 4.416075 -0.596047 0.312211
C -3.630586 0.940769 -0.618467
C -3.570254 -0.598889 1.271565
C -4.281587 0.038465 0.243449
C 5.313138 -2.917434 -0.038503
C -5.677418 -0.225981 0.069985
H 1.038267 1.837270 2.163297
H 1.003177 0.050937 2.406750
H -0.395047 1.065959 2.858341
H 1.042536 -1.578538 -1.367350
H 3.560740 1.374288 0.539181
H -1.665676 -0.873413 2.234392
H 2.844181 -3.264410 -1.135684
H 5.363568 -0.315528 0.769103
H -4.180619 1.443847 -1.417589
H -4.083666 -1.295151 1.937248
H 5.974435 -2.728394 0.818757
H 4.930513 -3.942008 0.072320
H 5.948619 -2.910342 -0.939342


%chk=000287108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287108

0 1
S 1.045783 1.735379 -0.653975
F -2.223446 2.672710 -0.827829
O 2.003992 3.026304 -0.437212
O 0.142161 1.487198 -1.978080
N -0.239585 1.776581 0.908181
N -5.880958 -1.987535 -0.398607
C 2.104341 0.188304 -0.401827
C -1.360638 0.955503 0.665743
C 0.554220 1.583072 2.140194
C 1.618037 -1.036543 -0.891008
C 3.343554 0.326621 0.244539
C 3.687995 -2.098010 -0.063145
C -2.359423 1.414840 -0.248669
C -1.608196 -0.290726 1.317009
C 2.425609 -2.180498 -0.711425
C 4.132314 -0.833580 0.408072
C -3.513043 0.680815 -0.541190
C -2.769394 -1.035869 1.057439
C -3.723956 -0.564354 0.112076
C 4.559749 -3.330493 0.086000
C -4.903972 -1.336350 -0.168797
H 1.366081 2.329934 2.138447
H 0.994959 0.571684 2.274458
H -0.102942 1.800973 3.000789
H 0.660266 -1.086285 -1.418646
H 3.687031 1.310786 0.579961
H -0.879030 -0.669200 2.040189
H 2.074030 -3.147730 -1.088301
H 5.107690 -0.753010 0.901134
H -4.244538 1.082172 -1.247468
H -2.944017 -1.985692 1.571243
H 5.265631 -3.231784 0.928248
H 3.954736 -4.239567 0.247880
H 5.160160 -3.496648 -0.829222


