%chk=000235966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235966

0 1
S -2.690885 1.520649 0.513807
O -3.597214 1.818496 1.599178
O -2.356356 2.505936 -0.482570
O 3.314965 -0.245521 1.969080
O 4.104851 0.940264 -2.046118
O 5.006177 -0.039389 -0.259657
O 3.480995 -2.318548 1.055873
N -1.226993 1.107617 1.379385
C -3.125243 0.043134 -0.233909
C 0.062451 0.983859 0.849032
C -4.030178 -0.819133 0.400132
C -2.590573 -0.309474 -1.480838
C 1.074163 0.408936 1.652004
C -3.845892 -2.386399 -1.442457
C 0.366382 1.393561 -0.475561
C 2.342736 0.230403 1.107816
C -4.389259 -2.026234 -0.196235
C -2.944459 -1.514803 -2.082081
C 2.667222 0.614734 -0.213485
C 1.640134 1.208704 -0.983172
C -4.211031 -3.679219 -2.086949
C 4.007813 0.446654 -0.757455
C 3.998896 -1.467503 1.720283
C 5.272942 -1.415533 2.469523
H -1.305216 0.961414 2.398656
H -4.465693 -0.541258 1.367916
H -1.893806 0.364984 -1.991865
H 0.886385 0.096690 2.676255
H -0.380108 1.917822 -1.081930
H -5.092294 -2.690252 0.304687
H -2.521051 -1.784754 -3.048884
H 1.876367 1.533753 -2.004033
H -5.005126 -4.219961 -1.553809
H -4.561062 -3.534910 -3.120671
H -3.342488 -4.355873 -2.137354
H 6.054687 -0.976907 1.811989
H 5.607700 -2.417453 2.774020
H 5.218598 -0.768789 3.360171
H 5.020962 0.825104 -2.416474


%chk=000235966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235966

0 1
S -2.659820 1.459670 0.662894
O -3.584642 1.673210 1.981963
O -2.389298 2.642418 -0.416189
O 3.604405 0.095670 2.095056
O 4.141256 0.522773 -2.212262
O 5.224388 0.073717 -0.216543
O 3.878689 -2.147746 1.454377
N -1.094339 0.903349 1.456676
C -3.235266 -0.063499 -0.283395
C 0.172424 0.798865 0.866719
C -3.794337 -1.123052 0.449307
C -3.129718 -0.052795 -1.681739
C 1.277103 0.500478 1.712534
C -4.141020 -2.303833 -1.690794
C 0.390251 0.934685 -0.534634
C 2.556333 0.322600 1.168612
C -4.244634 -2.247541 -0.273667
C -3.590041 -1.191650 -2.379463
C 2.796487 0.449857 -0.232261
C 1.678770 0.760721 -1.055023
C -4.600320 -3.535451 -2.447250
C 4.146310 0.320547 -0.816975
C 4.310436 -1.157122 2.062097
C 5.569693 -1.031746 2.874779
H -1.190478 1.011425 2.473452
H -3.892035 -1.066616 1.537926
H -2.730296 0.821678 -2.205386
H 1.149888 0.386437 2.793691
H -0.429138 1.218182 -1.198691
H -4.685675 -3.090971 0.269460
H -3.522748 -1.211655 -3.472768
H 1.851252 0.878926 -2.127572
H -5.524018 -3.957466 -2.013795
H -4.789836 -3.313319 -3.510913
H -3.828908 -4.328438 -2.406616
H 6.307865 -0.488377 2.258167
H 5.962205 -2.028853 3.121688
H 5.393727 -0.444081 3.789933
H 5.074585 0.419803 -2.539095


