%chk=000222230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222230

0 1
S -1.121250 1.221225 1.548630
S 1.218657 -1.273800 1.498998
O -1.818483 0.391786 2.811529
O 1.965361 -0.442594 2.735451
O 0.332263 1.118410 1.753509
O -1.705553 2.534822 1.606405
O -0.223769 -1.153905 1.760714
O 1.798284 -2.588415 1.538000
N -4.850377 -0.964863 -1.261569
N 4.862901 0.794418 -1.519386
C -0.719378 -0.162355 -0.779388
C 0.740905 0.134121 -0.800323
C -1.642264 0.378994 0.131279
C 1.692783 -0.421695 0.071498
C -3.019602 0.176331 -0.034765
C 3.064316 -0.219758 -0.138538
C -1.182171 -0.972456 -1.826926
C 1.169535 0.963819 -1.846535
C -3.476885 -0.636162 -1.115036
C 3.485567 0.621895 -1.210801
C -2.543964 -1.216715 -1.991291
C 2.525172 1.220865 -2.042917
C -3.994666 0.797636 0.906755
C 4.068050 -0.866902 0.754017
H -0.469420 -1.420847 -2.521801
H 0.436217 1.418157 -2.514876
H -2.881362 -1.867548 -2.798274
H 2.836379 1.876942 -2.856018
H -3.911046 0.357249 1.921415
H -3.826647 1.886647 1.027423
H -5.045381 0.680052 0.615100
H 5.106786 -0.765674 0.417074
H 4.021304 -0.465655 1.785024
H 3.897944 -1.960619 0.841251
H -5.140085 -1.204810 -2.199858
H -5.500454 -0.320159 -0.825083
H 5.085520 1.650752 -2.010615
H 5.499225 0.645457 -0.743505
H -1.440585 -0.524852 2.971708
H 1.573569 0.461204 2.926620


%chk=000222230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222230

0 1
S -1.198919 1.417668 1.650940
S 1.282270 -1.478405 1.574434
O -1.772713 0.301056 2.970836
O 1.888657 -0.406204 2.916897
O 0.428788 1.509913 1.761540
O -2.021324 2.788316 1.827100
O -0.341901 -1.576859 1.724200
O 2.109596 -2.852982 1.682944
N -4.908386 -0.823133 -1.349758
N 4.918819 0.861610 -1.438469
C -0.728602 -0.117567 -0.746615
C 0.754158 0.134592 -0.760175
C -1.730783 0.417593 0.103202
C 1.775988 -0.426303 0.048505
C -3.124580 0.226841 -0.035469
C 3.166113 -0.229767 -0.116201
C -1.221899 -0.899516 -1.827653
C 1.222075 0.950296 -1.827490
C -3.553821 -0.581249 -1.146504
C 3.569288 0.613210 -1.211008
C -2.588074 -1.134474 -2.027496
C 2.583220 1.192604 -2.051683
C -4.203330 0.760010 0.890431
C 4.266683 -0.791333 0.766315
H -0.491131 -1.337380 -2.515446
H 0.475404 1.408663 -2.484126
H -2.914433 -1.757450 -2.868163
H 2.889815 1.841407 -2.880161
H -4.757866 -0.081687 1.350290
H -3.825402 1.387251 1.706645
H -4.923510 1.380498 0.320326
H 4.969540 -1.398197 0.160972
H 4.835956 0.036276 1.233848
H 3.908253 -1.438641 1.575474
H -5.212857 -1.411089 -2.120369
H -5.612898 -0.457780 -0.717224
H 5.205423 1.474862 -2.196101
H 5.637709 0.476481 -0.834474
H -1.300426 -0.584103 2.744016
H 1.412498 0.485969 2.730567


