%chk=000244993.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244993

0 1
S 2.012408 -1.957025 0.501336
S -2.399376 -2.155826 -0.038438
O 2.181649 -0.578573 -0.457689
O -2.457840 -0.510453 -0.403872
O 0.863941 -1.698780 1.357718
O 3.278326 -2.181440 1.142919
O -1.266480 -2.694712 -0.776520
O -3.716570 -2.645874 -0.328560
C 0.794647 2.921392 -0.041820
C -1.227679 2.141882 0.637336
C 0.839384 1.412571 -0.451130
C -0.525801 0.861555 0.081772
C -0.019055 2.879917 1.283247
C -0.202259 3.635321 -0.997808
C -1.583721 3.101260 -0.533115
C 2.058795 0.715928 0.161004
C -1.314977 0.126277 -1.001988
C 1.692763 -3.099267 -0.734162
C -2.097897 -2.145135 1.655652
H 1.776968 3.402338 0.014548
H -2.072785 1.918630 1.297678
H 0.903074 1.308148 -1.556467
H -0.347541 0.155033 0.929965
H 0.466158 2.322345 2.091829
H -0.268697 3.872313 1.676967
H -0.002776 3.408223 -2.054134
H -0.135800 4.728494 -0.891241
H -2.239444 3.914765 -0.189953
H -2.122721 2.581006 -1.341228
H 1.994747 0.631577 1.260037
H 3.001386 1.232050 -0.111078
H -0.692310 -0.611378 -1.543773
H -1.778276 0.823565 -1.732709
H 2.072297 -2.802078 -1.726936
H 2.099031 -4.103855 -0.549103
H 0.593174 -3.254716 -0.915942
H -2.554499 -1.292909 2.183050
H -2.450217 -3.041963 2.184286
H -1.007129 -2.069805 1.903919


%chk=000244993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244993

0 1
S 2.064358 -1.937647 0.655717
S -2.541218 -2.278750 -0.167266
O 1.932108 -0.629470 -0.663838
O -2.511271 -0.397426 -0.186548
O 0.813147 -1.781110 1.686055
O 3.556035 -1.957400 1.279832
O -1.240387 -2.831563 -0.980228
O -4.019601 -2.752148 -0.598186
C 0.842791 3.049314 -0.130106
C -1.139872 2.269931 0.693824
C 0.817065 1.558885 -0.614737
C -0.499819 0.998530 0.050064
C 0.135938 2.962773 1.256545
C -0.216631 3.832603 -0.963021
C -1.582734 3.286214 -0.400970
C 2.071132 0.778561 -0.192484
C -1.362401 0.191193 -0.923693
C 1.769523 -3.367384 -0.546521
C -2.279943 -2.546167 1.692140
H 1.847070 3.507069 -0.143842
H -1.929022 2.029703 1.423942
H 0.753997 1.524046 -1.720477
H -0.215557 0.308373 0.870195
H 0.674742 2.347827 1.999874
H -0.063717 3.956823 1.695022
H -0.099554 3.657846 -2.048085
H -0.119850 4.919886 -0.789906
H -2.177726 4.097892 0.055220
H -2.214857 2.827108 -1.180747
H 2.203653 0.804554 0.907480
H 2.988381 1.173632 -0.666747
H -0.760709 -0.620349 -1.381546
H -1.799697 0.802838 -1.734436
H 2.506945 -3.236918 -1.348886
H 1.934600 -4.283647 0.037576
H 0.725492 -3.249552 -0.879684
H -3.042980 -1.931229 2.187443
H -2.425230 -3.621916 1.866616
H -1.249301 -2.212125 1.890005


