%chk=000218763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218763

0 1
S -8.067000 0.188764 1.197418
S -8.736671 -0.065315 -0.731369
F 4.874408 -3.182057 -0.319054
F 6.009159 -1.859084 -1.501135
F 6.233597 -1.869330 0.610930
O 0.658387 -0.662744 0.138869
O -7.654727 0.982519 -1.474005
O -8.411169 -1.373315 -1.183803
O -10.017950 0.536386 -0.883329
N -4.105454 -0.558302 0.660709
N 2.185771 1.110875 -0.014063
C -1.656414 -0.535751 0.401808
C -2.930573 0.320653 0.371102
C -0.418612 0.341387 0.264641
C -5.395412 0.197215 0.583855
C 4.580055 0.548278 -0.270259
C 4.230125 -0.848025 -0.239393
C 3.516141 1.497185 -0.152964
C 1.927699 -0.199500 0.007897
C 2.924553 -1.237305 -0.102337
C -6.477034 -0.699567 1.182076
C 5.909110 1.052893 -0.408851
C 5.304724 -1.909203 -0.358492
C 3.791174 2.901874 -0.175364
C 6.151457 2.405692 -0.428127
C 5.083739 3.340072 -0.310328
H -1.667113 -1.298119 -0.404416
H -1.610452 -1.119178 1.347377
H -3.012304 0.855378 -0.600731
H -2.884233 1.099633 1.166395
H -0.209739 0.960287 1.153630
H -0.410052 0.965656 -0.644842
H -4.125830 -1.340997 -0.004650
H -5.299817 1.135448 1.177947
H -5.660974 0.509929 -0.454702
H 2.584134 -2.273610 -0.069851
H -6.240495 -0.957070 2.238870
H -6.568159 -1.667372 0.645449
H 6.749701 0.365679 -0.501178
H 2.951847 3.593264 -0.082689
H 7.168289 2.783638 -0.534108
H 5.312755 4.406305 -0.329302
H -8.014543 1.603133 -2.129732


%chk=000218763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218763

0 1
S -8.042143 0.321934 1.501844
S -9.071351 -0.158801 -0.693394
F 5.009463 -3.253474 -0.108277
F 6.264813 -1.873240 -1.390914
F 6.432753 -1.788470 0.868393
O 0.766086 -0.797334 0.100320
O -8.873425 1.548786 -1.402002
O -8.058843 -1.154177 -1.482463
O -10.651812 -0.498833 -0.685661
N -4.098907 -0.391083 0.480677
N 2.286157 1.003138 -0.070759
C -1.628774 -0.571534 0.297375
C -2.846551 0.373914 0.346414
C -0.324163 0.212716 0.149426
C -5.338562 0.377649 0.662811
C 4.726286 0.514229 -0.223494
C 4.405951 -0.895486 -0.152608
C 3.604668 1.432969 -0.177540
C 2.058712 -0.311432 -0.009277
C 3.085832 -1.314558 -0.046595
C -6.451695 -0.582825 1.115935
C 6.050902 1.043861 -0.334526
C 5.498414 -1.933765 -0.194141
C 3.846322 2.839051 -0.244307
C 6.257189 2.425276 -0.397805
C 5.151207 3.327956 -0.352782
H -1.726329 -1.271469 -0.555886
H -1.600023 -1.179636 1.218919
H -2.848756 1.030526 -0.559059
H -2.765738 1.046938 1.223265
H -0.141112 0.892742 1.002404
H -0.293431 0.814536 -0.778279
H -4.187039 -1.153173 -0.204402
H -5.159182 1.139032 1.445914
H -5.674249 0.923025 -0.249978
H 2.809570 -2.368774 0.009016
H -6.168360 -1.144732 2.025269
H -6.684558 -1.317438 0.316752
H 6.908739 0.366866 -0.370091
H 2.979484 3.505365 -0.207701
H 7.275165 2.819465 -0.482657
H 5.329840 4.407347 -0.403594
H -9.540451 1.639215 -2.146641


