%chk=000240096.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240096

0 1
S -0.501814 1.640862 -0.125038
S -0.982899 -1.174852 1.019243
O -1.090243 2.033116 1.136035
O -1.346002 1.593765 -1.302547
O -0.614008 -1.690715 -1.504651
O 1.635103 0.798567 1.619137
O 1.063852 -0.319647 -2.156607
C 0.099828 -0.084951 0.050598
C 1.352319 -0.143136 0.920585
C 0.896430 2.577375 -0.469764
C 0.264405 -0.672641 -1.311653
C 2.153507 -1.402699 0.878719
C 1.500239 3.329044 0.546515
C 1.405540 2.623770 -1.773821
C -2.644996 -0.689111 0.734280
C 2.989160 -1.673937 -0.212745
C 2.096835 -2.283002 1.967645
C 2.609167 4.129481 0.258488
C 2.515254 3.422457 -2.061277
C 3.114496 4.175661 -1.045170
C -0.636582 -2.297926 -2.853651
C -3.378768 -1.355030 -0.252051
C -3.237528 0.260249 1.571559
C 3.763865 -2.836617 -0.215563
C 2.869709 -3.447847 1.953668
C 3.702434 -3.724086 0.864474
C -4.742253 -1.080267 -0.385962
C -4.603749 0.528065 1.429459
C -1.566382 -3.477782 -2.676796
C -5.352195 -0.141765 0.456114
H 1.109271 3.278077 1.571293
H 0.940798 2.027604 -2.570368
H 3.034253 -0.982377 -1.059266
H 1.454228 -2.061222 2.821552
H 3.079549 4.710878 1.049724
H 2.911962 3.456243 -3.074552
H 3.980277 4.799832 -1.270500
H 0.395344 -2.573704 -3.126862
H -1.022578 -1.527402 -3.543715
H -2.887333 -2.075438 -0.919959
H -2.638060 0.811054 2.307510
H 4.416208 -3.050123 -1.061228
H 2.823855 -4.138029 2.794999
H 4.306008 -4.631183 0.857779
H -5.327914 -1.586954 -1.149766
H -5.077848 1.269065 2.071050
H -2.446469 -3.186459 -2.071616
H -1.081921 -4.305918 -2.142979
H -1.927565 -3.854594 -3.640407
H -6.414787 0.073447 0.346188


%chk=000240096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240096

0 1
S -0.261238 1.767325 -0.246472
S -1.197766 -0.801649 1.597277
O -1.207835 2.366716 0.951852
O -0.872574 1.696874 -1.773299
O -1.065131 -1.509002 -1.480177
O 1.753886 0.644135 1.732159
O 1.127009 -0.777980 -1.791590
C 0.086172 -0.439922 0.352083
C 1.441688 -0.393085 1.079075
C 1.295089 2.839964 -0.339249
C 0.115900 -0.945892 -1.059274
C 2.325525 -1.596717 1.046979
C 1.675355 3.565625 0.800301
C 1.965359 2.888402 -1.572215
C -2.844493 -0.957237 0.750045
C 1.848525 -2.887706 0.694448
C 3.682908 -1.433597 1.437844
C 2.801417 4.411550 0.683112
C 3.094487 3.736020 -1.662881
C 3.508336 4.492368 -0.541113
C -1.187338 -1.712366 -2.965345
C -3.417591 -2.244670 0.659790
C -3.549997 0.198273 0.351695
C 2.719598 -3.995659 0.726200
C 4.552603 -2.540168 1.458374
C 4.072736 -3.824410 1.102142
C -4.726367 -2.379654 0.143988
C -4.853190 0.046253 -0.177269
C -2.603154 -2.207238 -3.231120
C -5.441624 -1.235714 -0.282587
H 1.109184 3.474951 1.731141
H 1.606756 2.303710 -2.424625
H 0.797785 -3.032029 0.419833
H 4.028836 -0.433089 1.716640
H 3.126699 4.999947 1.547392
H 3.643722 3.803861 -2.607748
H 4.382395 5.148113 -0.621150
H -0.411472 -2.434962 -3.276120
H -0.979121 -0.735758 -3.436548
H -2.853151 -3.124804 0.983429
H -3.096310 1.188276 0.466009
H 2.346968 -4.990987 0.461871
H 5.599935 -2.408079 1.750126
H 4.748964 -4.686424 1.119880
H -5.182158 -3.373480 0.075100
H -5.407159 0.935790 -0.495808
H -3.346428 -1.475619 -2.873246
H -2.793243 -3.171372 -2.728995
H -2.743246 -2.347161 -4.318833
H -6.455250 -1.342522 -0.685018


