%chk=000257696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257696

0 1
S 1.488687 0.212087 -0.128015
S -1.124208 -0.891115 0.092300
O -0.360081 1.956975 -1.201480
O -0.716461 3.244707 2.046432
O 0.548641 5.283781 0.946735
O -1.044664 6.051431 -0.965742
C -0.625391 1.805770 0.199932
C 0.085062 3.004758 0.875771
C -0.097379 0.468524 0.707243
C 0.129760 4.278113 0.002729
C -1.234871 4.671105 -0.585817
C 2.258947 -1.105947 0.873533
C -2.581170 -0.862626 1.193081
C 3.550996 -1.378441 0.175852
C -3.482033 -1.913898 0.633711
C 4.714394 -0.684048 0.545302
C -3.360799 -3.246743 1.059683
C 3.608099 -2.330584 -0.855143
C -4.454152 -1.576371 -0.322118
C 5.921560 -0.945437 -0.107859
C -4.206386 -4.227885 0.536018
C 4.818534 -2.586655 -1.503812
C -5.296459 -2.562748 -0.841243
C 5.976857 -1.896836 -1.131349
C -5.175618 -3.888770 -0.413455
H -1.728996 1.895489 0.362137
H 1.118629 2.758149 1.216227
H -0.013308 0.459034 1.816361
H 0.904120 4.199546 -0.794279
H -1.470448 4.076314 -1.488658
H -2.046846 4.595254 0.156751
H -0.650959 1.159155 -1.705605
H -0.489128 4.144674 2.407441
H 1.604862 -1.999811 0.912596
H 2.403541 -0.770255 1.917038
H -3.051909 0.138279 1.200513
H -2.280322 -1.076124 2.236359
H 0.342052 6.182533 0.576395
H -1.908539 6.481472 -1.109029
H 4.677189 0.063533 1.335881
H -2.604664 -3.519097 1.794060
H 2.707499 -2.864945 -1.154948
H -4.550282 -0.547701 -0.664286
H 6.821174 -0.403854 0.180492
H -4.108478 -5.260393 0.868179
H 4.858474 -3.324532 -2.303613
H -6.048468 -2.297190 -1.582774
H 6.918205 -2.098114 -1.638502
H -5.832966 -4.654962 -0.819526


%chk=000257696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257696

0 1
S 1.778649 0.544042 -0.537516
S -1.044285 -0.595207 -0.706358
O -0.464487 2.444931 -1.659612
O -0.066434 3.098533 1.933563
O 0.420907 5.583592 1.090966
O -1.830390 6.417208 -0.033315
C -0.529488 2.163654 -0.224289
C 0.230597 3.282642 0.505927
C 0.023100 0.767853 0.108588
C -0.180550 4.704000 0.067018
C -1.696759 4.944289 0.031273
C 2.273613 -0.876151 0.660318
C -2.603051 -0.544082 0.436323
C 3.552301 -1.528121 0.196116
C -3.382814 -1.827750 0.293588
C 4.800818 -1.148944 0.752771
C -3.022559 -2.980362 1.040243
C 3.526560 -2.528278 -0.811365
C -4.484129 -1.907653 -0.597498
C 5.998868 -1.759365 0.317718
C -3.750124 -4.182296 0.904299
C 4.721980 -3.140035 -1.246794
C -5.212455 -3.110403 -0.737271
C 5.962480 -2.757480 -0.683060
C -4.848057 -4.251342 0.014125
H -1.584353 2.188588 0.130283
H 1.318387 3.174244 0.325943
H 0.017965 0.617611 1.201375
H 0.248186 4.924148 -0.927584
H -2.129296 4.463628 -0.866165
H -2.173526 4.553172 0.953434
H -0.766439 1.620185 -2.131302
H 0.206256 3.958750 2.358722
H 1.421295 -1.577209 0.643053
H 2.375394 -0.428679 1.662528
H -3.203472 0.332923 0.146857
H -2.214720 -0.403544 1.459591
H -0.051145 6.456544 1.015501
H -2.782633 6.678455 -0.038180
H 4.832123 -0.373434 1.527866
H -2.168311 -2.931957 1.726235
H 2.566523 -2.819279 -1.254077
H -4.770276 -1.024882 -1.182466
H 6.956026 -1.458047 0.757891
H -3.463727 -5.062923 1.490086
H 4.688300 -3.912618 -2.023188
H -6.061841 -3.156849 -1.427926
H 6.890429 -3.232432 -1.020922
H -5.413140 -5.184068 -0.091812


