%chk=000251781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251781

0 1
S -2.137581 1.868185 0.193228
O 2.195443 0.303745 1.371581
O 4.656690 -0.434102 -0.762567
O 3.924080 -1.249292 1.257363
O 2.742382 2.543614 -0.894447
O -0.676738 1.067751 -0.132762
O -2.319945 2.814205 -0.876790
O -2.029477 2.324871 1.557141
C 4.071495 0.685985 -0.091068
C 2.777858 1.116218 -0.828201
C 3.604705 0.142754 1.288543
C 1.611743 0.641014 0.077175
C 4.302937 -1.677651 -0.073545
C 0.528581 1.679166 0.367647
C 5.564557 -2.503684 0.043561
C 3.132550 -2.340815 -0.771445
C -3.213212 0.545762 0.042718
C -3.447595 -0.295790 1.138783
C -3.860603 0.301701 -1.174827
C -4.321490 -1.374204 1.018956
C -4.736225 -0.776233 -1.300395
C -4.972137 -1.623707 -0.203853
C -5.907224 -2.779005 -0.322585
H 4.845180 1.473059 -0.065340
H 2.722893 0.680065 -1.846602
H 4.015540 0.533204 2.232617
H 1.163141 -0.306519 -0.312832
H 0.697033 2.634471 -0.170944
H 0.433623 1.860370 1.460233
H 5.794335 -3.034555 -0.887270
H 6.429227 -1.866662 0.281365
H 5.472825 -3.241113 0.853172
H 2.183273 -1.836995 -0.531437
H 3.259917 -2.326737 -1.860411
H 3.018101 -3.385226 -0.454362
H 3.151277 2.856775 -1.728657
H -2.948124 -0.103388 2.095872
H -3.684554 0.963393 -2.031782
H -4.501382 -2.024801 1.873344
H -5.237289 -0.958644 -2.249468
H -6.305315 -2.909855 -1.338038
H -5.417058 -3.725127 -0.046315
H -6.773036 -2.660803 0.347744


%chk=000251781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251781

0 1
S -2.112602 1.869933 1.139977
O 3.026528 1.016592 0.990825
O 3.380169 -1.618759 -0.684619
O 5.008312 -0.286224 0.410719
O 1.377029 1.253500 -1.773380
O -0.520608 1.538317 0.155374
O -2.636533 3.364656 0.820684
O -1.798376 1.405948 2.663167
C 3.158348 -0.215585 -1.092815
C 1.687829 0.152838 -0.860302
C 3.978371 0.607381 -0.066836
C 1.654620 0.571347 0.640589
C 4.532256 -1.691432 0.267685
C 0.728893 1.770338 0.923702
C 5.667482 -2.502565 -0.356001
C 4.030314 -2.232733 1.609657
C -3.190971 0.618808 0.264982
C -3.167500 -0.712148 0.714953
C -3.987748 1.071393 -0.797186
C -3.997926 -1.636859 0.049266
C -4.807452 0.120902 -1.446221
C -4.822102 -1.238833 -1.039880
C -5.701345 -2.253998 -1.744728
H 3.460108 -0.055905 -2.140940
H 1.027312 -0.714764 -1.043051
H 4.488131 1.511095 -0.428721
H 1.379846 -0.298459 1.267856
H 1.198914 2.702231 0.568667
H 0.501899 1.840484 2.003888
H 5.351760 -3.550531 -0.495598
H 5.941224 -2.077930 -1.335475
H 6.553311 -2.481217 0.301849
H 3.282551 -1.548693 2.041741
H 3.576745 -3.229065 1.467990
H 4.871584 -2.320876 2.318295
H 0.451915 1.558119 -1.558356
H -2.542132 -1.008034 1.562931
H -3.979424 2.124765 -1.094253
H -4.005809 -2.682092 0.378819
H -5.442060 0.443771 -2.278536
H -6.299309 -1.789197 -2.545931
H -5.093493 -3.058331 -2.199262
H -6.399661 -2.736788 -1.036425


