%chk=000247419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247419

0 1
S 2.508105 -2.708167 0.668444
S 3.915108 1.185319 -0.244290
O 1.108432 -1.768943 0.521511
O 2.332055 1.166963 -0.839512
O 3.370544 -2.293056 -0.427047
O 2.080962 -4.076630 0.724389
O 3.852475 0.512357 1.044204
O 4.358476 2.548701 -0.284047
C 0.194264 0.163681 -0.581296
C -1.110660 0.121071 0.256395
C 0.761264 -1.254666 -0.781026
C 1.242447 1.063160 0.099212
C -1.677159 1.487565 0.587033
C -2.164875 -0.717640 -0.444688
C -1.633667 2.555944 -0.321188
C -2.464019 -1.995397 0.054836
C -2.282839 1.677035 1.840086
C -2.836123 -0.249571 -1.583349
C -2.180524 3.795554 0.022236
C -3.425300 -2.789757 -0.574945
C -2.830290 2.916902 2.178727
C -3.797718 -1.047255 -2.210033
C -2.779149 3.980240 1.271912
C -4.095034 -2.317887 -1.708383
C 3.070981 -2.148539 2.190525
C 4.680450 0.223388 -1.443021
H -0.022770 0.580219 -1.598185
H -0.837927 -0.389585 1.224305
H 1.652837 -1.223444 -1.439517
H 0.005384 -1.950121 -1.194132
H 0.875357 2.094715 0.258059
H 1.584732 0.628888 1.059359
H -1.171134 2.427792 -1.298828
H -1.938745 -2.375730 0.930752
H -2.334997 0.853892 2.550775
H -2.619950 0.741711 -1.977849
H -2.139014 4.620085 -0.688105
H -3.650976 -3.779984 -0.181816
H -3.299065 3.054290 3.151993
H -4.317925 -0.675203 -3.091145
H -3.204003 4.945892 1.537338
H -4.844248 -2.936885 -2.197072
H 3.551308 -1.134667 2.125139
H 2.276929 -2.017711 2.942677
H 3.827013 -2.791446 2.663046
H 5.775498 0.313254 -1.471362
H 4.480326 -0.873431 -1.306676
H 4.336863 0.430192 -2.469442


%chk=000247419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247419

0 1
S 2.492132 -2.950258 0.395680
S 4.067964 1.258906 -0.005077
O 1.018578 -1.787014 0.431757
O 2.402907 1.154371 -0.872030
O 3.524187 -2.420383 -0.746222
O 1.989925 -4.482518 0.348181
O 3.962158 0.401939 1.376117
O 4.584838 2.785728 0.063427
C 0.162742 0.241644 -0.614584
C -1.142107 0.231417 0.262997
C 0.697448 -1.179378 -0.886053
C 1.245091 1.119831 0.052817
C -1.718358 1.630610 0.526646
C -2.205000 -0.707355 -0.340537
C -1.685380 2.673336 -0.435853
C -2.347144 -2.025550 0.163923
C -2.363019 1.882579 1.764771
C -3.039988 -0.297539 -1.411888
C -2.277715 3.927800 -0.167994
C -3.297769 -2.914421 -0.386244
C -2.957588 3.133902 2.037773
C -3.987896 -1.185533 -1.967293
C -2.918153 4.163924 1.069638
C -4.121997 -2.497559 -1.456442
C 3.117579 -2.500649 2.124519
C 5.007144 0.283415 -1.327533
H -0.075563 0.664938 -1.611953
H -0.850733 -0.200245 1.240831
H 1.616544 -1.117865 -1.498755
H -0.059362 -1.802122 -1.391693
H 0.885571 2.148464 0.215499
H 1.549642 0.666571 1.016961
H -1.186316 2.518932 -1.400222
H -1.695607 -2.360088 0.979986
H -2.403493 1.086201 2.518432
H -2.968746 0.724778 -1.799475
H -2.235693 4.720562 -0.923448
H -3.390940 -3.929151 0.016591
H -3.447936 3.306072 3.002517
H -4.627330 -0.851702 -2.792518
H -3.375290 5.137388 1.278666
H -4.860533 -3.184195 -1.885063
H 3.434912 -1.448178 2.049960
H 2.262508 -2.654100 2.796263
H 3.944996 -3.194160 2.330410
H 6.065533 0.328086 -1.034705
H 4.582496 -0.732168 -1.288901
H 4.808461 0.803830 -2.273881


