%chk=000291337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291337

0 1
S 2.640706 -0.114164 1.737551
S -2.636915 -0.157930 1.743689
F 3.274742 -5.064067 -1.289711
F -3.197071 -5.116325 -1.284309
O -0.000091 0.011039 1.156878
O -0.039867 4.370586 -2.006986
C -0.011940 1.442385 1.101454
C -0.033239 3.763378 -0.696387
C 1.257726 1.840408 0.346943
C -1.289830 1.819437 0.350077
C 1.233297 2.937386 -0.530966
C -1.285646 2.916743 -0.527761
C -0.015593 2.089394 2.488355
C -0.041776 4.954382 0.262413
C 2.468307 1.160647 0.520795
C -2.488626 1.119846 0.526858
C 2.383945 3.310383 -1.237040
C -2.444068 3.270908 -1.230808
C 3.617925 1.517768 -0.188342
C -3.645769 1.458149 -0.179262
C 3.572220 2.594569 -1.078096
C -3.620039 2.535686 -1.068924
C 2.823291 -1.581907 0.776570
C -2.797676 -1.628192 0.782636
C 1.810713 -1.990478 -0.095407
C -1.780840 -2.019533 -0.092282
C 3.985442 -2.336162 0.962897
C -3.946639 -2.401708 0.971747
C 1.958503 -3.180429 -0.812541
C -1.910882 -3.211399 -0.809681
C 4.145698 -3.536261 0.263387
C -4.088913 -3.603960 0.272046
C 3.125948 -3.924890 -0.611515
C -3.065284 -3.975197 -0.605876
H -0.024759 3.187813 2.408931
H -0.897393 1.798127 3.073522
H 0.872319 1.812738 3.071373
H -0.929009 5.580590 0.100236
H 0.834808 5.594892 0.098208
H -0.037852 4.621039 1.309450
H 2.341677 4.170710 -1.910873
H -2.417672 4.131906 -1.904593
H 0.003875 -0.328263 2.083947
H -0.035290 3.683138 -2.706410
H 4.549638 0.966393 -0.048267
H -4.567939 0.891524 -0.036902
H 4.462226 2.880096 -1.637101
H -4.516049 2.806658 -1.625580
H 0.898489 -1.382782 -0.209912
H -0.879082 -1.396831 -0.208896
H 4.766565 -1.999873 1.647775
H -4.731329 -2.078750 1.658966
H 1.186565 -3.517159 -1.501885
H -1.135406 -3.534918 -1.501375
H 5.039009 -4.144120 0.396390
H -4.971648 -4.226620 0.407196


%chk=000291337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291337

0 1
S 2.828391 -0.090101 1.910065
S -2.822877 -0.136363 1.914970
F 4.303748 -4.959774 -1.349331
F -4.233903 -5.036128 -1.327510
O 0.002858 -0.173037 0.798727
O -0.036010 4.182207 -2.255512
C -0.010236 1.299226 1.007615
C -0.031660 3.691730 -0.851702
C 1.283054 1.820270 0.339280
C -1.312587 1.797449 0.339563
C 1.251466 2.902996 -0.581492
C -1.300448 2.880071 -0.581644
C -0.013703 1.690591 2.513428
C -0.043230 4.997912 -0.017060
C 2.554169 1.228334 0.616738
C -2.573032 1.183965 0.618607
C 2.431836 3.341362 -1.231565
C -2.488488 3.296834 -1.231970
C 3.725565 1.671921 -0.033723
C -3.752326 1.606235 -0.031750
C 3.666172 2.719044 -0.976622
C -3.711559 2.652972 -0.976085
C 3.274943 -1.547157 0.864527
C -3.250069 -1.602249 0.873856
C 2.519507 -1.891557 -0.281556
C -2.489896 -1.941051 -0.270827
C 4.367548 -2.347193 1.275963
C -4.332263 -2.414904 1.288016
C 2.869466 -3.033685 -1.033976
C -2.824902 -3.090441 -1.019054
C 4.711677 -3.504954 0.541307
C -4.661255 -3.579716 0.557624
C 3.955955 -3.815268 -0.601817
C -3.901292 -3.884423 -0.584199
H -0.022753 2.790417 2.611532
H -0.906207 1.291754 3.023937
H 0.884870 1.306301 3.024397
H -0.945909 5.584480 -0.257665
H 0.849264 5.599933 -0.257499
H -0.041418 4.772666 1.063030
H 2.356089 4.172476 -1.939284
H -2.427663 4.128518 -1.940486
H 0.004277 -0.632454 1.674677
H -0.028498 3.392457 -2.856694
H 4.679678 1.193655 0.208215
H -4.697897 1.111862 0.211357
H 4.576266 3.053542 -1.485328
H -4.627571 2.970871 -1.484819
H 1.659473 -1.276903 -0.562795
H -1.637957 -1.316292 -0.554549
H 4.952459 -2.067457 2.157910
H -4.920877 -2.139481 2.168847
H 2.307599 -3.322178 -1.927076
H -2.259070 -3.375003 -1.910916
H 5.550365 -4.141477 0.837198
H -5.491641 -4.226008 0.855723


