%chk=000270879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270879

0 1
S 4.832112 1.715069 -0.170235
S -4.817134 1.367399 -0.604674
O 0.767502 -0.431555 1.531024
O -0.692107 -2.148801 -0.584780
O 1.575310 -1.792331 -1.050708
O -1.386849 -1.015899 2.249207
O 3.406694 1.023327 -0.765443
O -3.647451 0.177926 -0.294718
O 5.848708 0.701364 -0.228330
O 4.500552 2.329500 1.086048
O -4.092236 2.517147 -1.071385
O -5.633197 1.459558 0.574422
C 0.349250 -0.044496 0.209430
C -0.937139 -0.779537 -0.209302
C 1.533076 -0.390840 -0.722357
C -1.954389 -0.915454 0.943791
C -0.197619 -0.269505 2.579700
C 0.359383 -2.388764 -1.533977
C 2.904726 -0.141667 -0.076797
C -2.956209 0.259750 0.961786
C -0.512089 1.197174 2.836545
C 0.614545 -3.884954 -1.448575
C 0.394474 -1.024889 3.758707
C -0.004961 -1.857935 -2.915403
C 5.036946 2.899967 -1.421419
C -5.631780 0.557446 -1.900683
H 0.185355 1.059409 0.215257
H -1.415425 -0.274786 -1.084133
H 1.443604 0.187712 -1.674390
H -2.487598 -1.898420 0.849897
H 2.832012 0.065345 1.010346
H 3.588431 -0.995655 -0.265321
H -3.682304 0.142202 1.791051
H -2.446938 1.240399 1.046498
H -1.112101 1.314172 3.748058
H 1.695621 -4.086494 -1.395982
H -1.073206 1.666790 2.019108
H 1.009137 -0.382447 4.396614
H 0.196089 -4.434333 -2.295472
H 0.413872 1.773634 2.971736
H -0.947236 -2.297937 -3.263547
H 0.172282 -4.291726 -0.523434
H 1.030696 -1.850574 3.398395
H 0.777156 -2.110465 -3.642958
H -0.401336 -1.476742 4.367464
H -0.125178 -0.771084 -2.935659
H 4.243244 2.854442 -2.187691
H 5.982762 2.787458 -1.975519
H 5.022428 3.935857 -1.046446
H -6.694166 0.351510 -1.688353
H -5.189794 -0.428474 -2.135365
H -5.614025 1.117812 -2.849530


%chk=000270879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270879

0 1
S 2.973087 2.414935 0.272815
S -3.564445 1.232825 -1.488068
O 1.064370 -0.647784 1.321763
O -0.667000 -2.496530 -0.325601
O 1.557303 -2.137440 -1.223614
O -1.108908 -1.060600 2.355537
O 3.098387 1.189593 -1.143586
O -3.787534 0.264205 0.109704
O 3.724287 1.825893 1.582437
O 1.461379 2.986533 0.399235
O -2.856605 0.319085 -2.626660
O -2.920134 2.673307 -1.118230
C 0.441236 -0.292151 0.038431
C -0.890598 -1.049290 -0.154115
C 1.446335 -0.676047 -1.069320
C -1.812307 -0.909151 1.069492
C 0.224359 -0.412637 2.509050
C 0.262023 -2.832896 -1.419984
C 2.888836 -0.229037 -0.783173
C -2.661656 0.386684 1.067444
C 0.092277 1.092485 2.817639
C 0.577568 -4.314773 -1.242513
C 0.899146 -1.188900 3.638004
C -0.344124 -2.495989 -2.799569
C 4.050478 3.704254 -0.602961
C -5.421086 1.357528 -1.830933
H 0.254291 0.802854 -0.016874
H -1.409241 -0.644757 -1.048263
H 1.104212 -0.210277 -2.018119
H -2.511168 -1.763863 1.051240
H 3.161918 -0.418759 0.270943
H 3.576056 -0.783266 -1.446633
H -3.140674 0.502204 2.056190
H -2.084822 1.307474 0.851387
H -0.618379 1.234180 3.650136
H 1.299058 -4.643917 -2.008727
H -0.241014 1.688228 1.952874
H 1.922340 -0.807776 3.792012
H -0.346345 -4.910049 -1.331461
H 1.078283 1.488925 3.113296
H -1.256497 -3.096955 -2.953490
H 1.012976 -4.472853 -0.243390
H 0.943865 -2.255474 3.368363
H 0.384317 -2.744698 -3.590396
H 0.323218 -1.075598 4.571679
H -0.625467 -1.434772 -2.906308
H 3.564367 3.893021 -1.568776
H 5.041585 3.246994 -0.713063
H 4.054981 4.588084 0.049592
H -5.842403 1.935797 -0.999227
H -5.789067 0.323539 -1.852920
H -5.519562 1.864220 -2.800792


