%chk=000270821.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270821

0 1
S 2.111736 -3.356857 1.196512
F 2.410835 -3.262780 2.746913
O 4.511387 2.760513 -0.534878
O 0.732159 -2.967333 1.107026
O 2.577737 -4.660376 0.845203
N -3.019263 0.323787 0.118833
N -4.045922 -1.683545 -0.972403
N -5.426490 0.052660 0.059341
N -4.525659 2.059305 0.895047
N -6.391154 -1.669872 -1.268933
N 2.702929 1.349629 -0.692493
C -2.794326 -1.100708 -0.474101
C -1.918623 1.256151 0.148651
C -1.819612 -0.988605 -1.653680
C -2.243959 -1.975263 0.655443
C -4.335742 0.771881 0.347067
C 0.231978 3.053880 0.211441
C -1.880957 2.339150 -0.751204
C -0.887810 1.079350 1.085528
C 1.396205 4.008012 0.222239
C -0.809321 3.228054 -0.715526
C 0.177183 1.981991 1.114872
C -5.217033 -1.132364 -0.714838
C 2.362209 3.777215 -0.948052
C 3.315752 2.623389 -0.697851
C 3.345819 0.135068 -0.302677
C 2.535621 -0.906166 0.188218
C 3.126233 -2.114316 0.565202
C 4.742287 -0.043320 -0.403167
C 4.503126 -2.305372 0.449004
C 5.306262 -1.261977 -0.032992
H -1.734693 -1.970662 -2.146514
H -2.179811 -0.289767 -2.417262
H -0.817702 -0.687359 -1.341347
H -2.299766 -3.038495 0.369879
H -1.183769 -1.786887 0.874347
H -2.810804 -1.868774 1.584938
H -2.694048 2.480707 -1.465973
H -0.924175 0.242625 1.786771
H 1.020172 5.054117 0.177440
H 1.948671 3.950548 1.184567
H -0.783530 4.065975 -1.412432
H 0.968366 1.849570 1.854024
H 2.978122 4.692404 -1.106777
H 1.807249 3.632102 -1.897610
H -5.480780 2.268052 1.179669
H -3.830247 2.396405 1.547826
H -7.260804 -1.397939 -0.829666
H -6.347122 -2.639253 -1.555968
H 1.684843 1.294750 -0.815995
H 1.451156 -0.770326 0.278681
H 5.374281 0.780229 -0.761281
H 4.962290 -3.259073 0.725458
H 6.385312 -1.405131 -0.117926


%chk=000270821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270821

0 1
S 2.111901 -3.387947 1.199333
F 2.541264 -3.141215 2.992398
O 4.626938 2.822148 -1.121883
O 0.559881 -2.974366 1.071759
O 2.650693 -4.851124 0.818676
N -3.065930 0.322033 -0.042328
N -4.076207 -1.637512 -1.175782
N -5.439018 -0.053362 0.111877
N -4.509019 1.868863 1.045982
N -6.420421 -1.685057 -1.235504
N 2.828068 1.516456 -0.372261
C -2.862531 -1.148433 -0.509046
C -1.968194 1.242377 0.066379
C -1.704637 -1.201547 -1.523412
C -2.552196 -2.022012 0.735862
C -4.347876 0.677306 0.364496
C 0.226291 3.080434 0.233144
C -1.742145 2.199112 -0.960732
C -1.099217 1.225836 1.188210
C 1.402681 4.052693 0.305432
C -0.662562 3.099802 -0.877129
C -0.017117 2.134701 1.265239
C -5.237195 -1.143234 -0.765571
C 2.456073 3.921261 -0.839003
C 3.410934 2.718829 -0.787376
C 3.439106 0.251222 -0.208157
C 2.626727 -0.789564 0.318783
C 3.211595 -2.047132 0.494890
C 4.799284 -0.021629 -0.532619
C 4.542657 -2.368270 0.187568
C 5.327347 -1.315806 -0.338618
H -1.623758 -2.241271 -1.878845
H -1.920415 -0.557545 -2.392868
H -0.740544 -0.909049 -1.071484
H -2.494857 -3.079355 0.426139
H -1.582448 -1.755846 1.192926
H -3.357850 -1.922932 1.485236
H -2.423001 2.218299 -1.818037
H -1.277212 0.505828 1.993874
H 1.011071 5.087263 0.255541
H 1.911767 3.958757 1.282673
H -0.510171 3.830922 -1.680810
H 0.636238 2.118698 2.146901
H 3.109302 4.810193 -0.844799
H 1.940243 3.904693 -1.820153
H -5.462535 2.133285 1.280398
H -3.718863 2.407268 1.389735
H -7.298399 -1.247686 -0.973837
H -6.385839 -2.489493 -1.854413
H 1.831307 1.565046 -0.128542
H 1.575309 -0.619200 0.577590
H 5.415918 0.785821 -0.931586
H 4.941348 -3.374734 0.340577
H 6.373014 -1.508825 -0.598229


