%chk=000244988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244988

0 1
S 5.410351 0.643226 0.858264
O -0.221778 -2.089175 0.198776
O -5.817054 0.741720 -0.106369
O 1.561628 -3.466067 0.356680
C -0.408237 -0.688373 0.084351
C -1.797314 -0.276601 0.033708
C 1.866871 -0.998642 0.141876
C 0.780186 -0.028902 0.046178
C -2.132674 1.085988 -0.035262
C -2.825063 -1.249889 0.055062
C 1.193622 -2.335647 0.250743
C 3.203500 -0.850226 0.151631
C -4.467116 0.507960 -0.063744
C -3.467240 1.490972 -0.084948
C -4.155588 -0.869612 0.006374
C 3.892221 0.408797 0.015816
C 3.586664 1.530831 -0.704961
C 4.569924 2.579101 -0.576131
C 5.611866 2.252925 0.237725
C -6.272355 2.116284 -0.176636
H 0.943640 1.030083 -0.018678
H -1.344448 1.840909 -0.049218
H -2.552105 -2.309551 0.111115
H 3.843452 -1.739494 0.269924
H -3.710624 2.546717 -0.137664
H -4.962365 -1.600487 0.021313
H 2.711739 1.640345 -1.332767
H 4.459786 3.523855 -1.092768
H 6.466886 2.851067 0.503447
H -5.917360 2.587305 -1.097592
H -5.958480 2.666442 0.714959
H -7.363233 1.987837 -0.195706


%chk=000244988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244988

0 1
S 5.818916 0.273362 0.030325
O -0.205682 -2.090871 0.265136
O -5.975981 0.686831 -0.119854
O 1.750721 -3.384973 0.439851
C -0.459749 -0.696671 0.095421
C -1.859888 -0.307123 0.036098
C 1.832689 -0.901014 0.140015
C 0.724916 0.021307 0.019564
C -2.240800 1.052904 -0.131815
C -2.888110 -1.292305 0.146567
C 1.240723 -2.262345 0.299063
C 3.216362 -0.764571 0.134471
C -4.602593 0.434034 -0.076862
C -3.594711 1.429723 -0.188938
C -4.239578 -0.928097 0.091342
C 3.996680 0.430923 -0.005354
C 3.647446 1.782481 -0.176431
C 4.763693 2.672528 -0.277826
C 5.997177 2.033780 -0.187687
C -6.414845 2.075118 -0.299611
H 0.785146 1.098429 -0.108510
H -1.472286 1.828792 -0.219414
H -2.603398 -2.340153 0.275636
H 3.766626 -1.709102 0.253598
H -3.854094 2.484239 -0.319546
H -5.034584 -1.674732 0.174866
H 2.613954 2.126229 -0.228405
H 4.664733 3.752078 -0.413167
H 6.994666 2.467186 -0.232862
H -6.055178 2.487263 -1.261989
H -6.070422 2.715738 0.534833
H -7.513246 2.028711 -0.303017


