%chk=000242044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242044

0 1
S -0.282384 2.603838 -0.149598
O 0.345766 0.300546 1.743210
O -1.852796 3.196414 -0.154593
O 0.311216 3.267892 -1.282009
O 0.229279 2.817082 1.183725
C 0.567238 0.045266 0.354991
C -0.456612 0.884836 -0.481686
C 0.306309 -1.444613 0.156704
C 2.021153 0.372889 0.015047
C -1.882661 0.447588 -0.267506
C -0.252115 -2.205506 1.192084
C 2.425315 0.877872 -1.226784
C 0.628603 -2.055523 -1.063938
C 2.988049 0.101227 0.996418
C -2.670748 0.119950 -1.382943
C -2.431723 0.362294 1.021148
C -0.490557 -3.570235 1.005725
C 3.778870 1.125179 -1.477441
C 0.386500 -3.419492 -1.245632
C 4.339105 0.348201 0.744147
C -3.998874 -0.277500 -1.206538
C -3.759889 -0.035719 1.188799
C -0.173860 -4.178386 -0.212502
C 4.737108 0.862577 -0.494123
C -4.546920 -0.354098 0.077421
H -0.198925 0.695090 -1.565117
H 0.654036 1.222430 2.016419
H -0.498024 -1.724568 2.142723
H 1.699286 1.098755 -2.010372
H 1.078237 -1.476702 -1.868630
H 2.673968 -0.307651 1.960586
H -2.256136 0.169958 -2.387388
H -1.814578 0.593900 1.895349
H -1.969357 4.065144 -0.577679
H -0.925365 -4.158202 1.812264
H 4.083192 1.530320 -2.441871
H 0.637524 -3.892520 -2.193231
H 5.081764 0.139309 1.512929
H -4.607149 -0.529229 -2.073900
H -4.181949 -0.096985 2.191174
H -0.361513 -5.240670 -0.357079
H 5.789920 1.059079 -0.691169
H -5.582101 -0.661537 0.211662


%chk=000242044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242044

0 1
S -0.164921 2.748131 -0.214652
O 0.317695 0.262427 1.802647
O -1.959584 3.294868 -0.221827
O 0.582034 3.597834 -1.375263
O 0.387288 2.949687 1.321756
C 0.559879 -0.067901 0.397019
C -0.536433 0.547279 -0.512003
C 0.393093 -1.603914 0.244743
C 2.001242 0.338427 -0.001164
C -1.975707 0.335953 -0.309609
C -0.082417 -2.379561 1.327892
C 2.375336 0.802558 -1.285933
C 0.711035 -2.236882 -0.983556
C 3.010120 0.165702 0.981846
C -2.819556 0.383404 -1.459879
C -2.564302 0.102045 0.969198
C -0.230513 -3.776830 1.184387
C 3.726669 1.097958 -1.577396
C 0.548599 -3.631381 -1.127753
C 4.357936 0.453932 0.689495
C -4.205916 0.182204 -1.344300
C -3.952251 -0.094747 1.079800
C 0.075845 -4.407136 -0.043924
C 4.723503 0.922549 -0.594660
C -4.777446 -0.054987 -0.070776
H -0.255245 0.572745 -1.574911
H 0.433053 1.266253 1.894620
H -0.303801 -1.882555 2.275458
H 1.637537 0.966856 -2.078560
H 1.116605 -1.652527 -1.817341
H 2.719616 -0.188321 1.975659
H -2.377533 0.579978 -2.444313
H -1.918536 0.086605 1.850579
H -1.940310 4.284470 -0.070026
H -0.585441 -4.373299 2.032362
H 3.992478 1.476659 -2.570174
H 0.800729 -4.112753 -2.079125
H 5.122681 0.317591 1.462221
H -4.842099 0.216586 -2.234742
H -4.398604 -0.272165 2.064107
H -0.044879 -5.490637 -0.153569
H 5.769764 1.154826 -0.821911
H -5.859040 -0.203430 0.024372


