%chk=000270997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270997

0 1
S -4.462559 -2.661474 0.094374
O 4.055109 -1.155234 -3.123499
O 2.430927 2.589452 1.028159
O 1.634197 3.325259 -0.971032
O -4.217044 -3.991640 0.611748
O -5.415530 -2.461411 -0.959573
N 4.819085 0.091348 -1.268952
N 4.343166 1.115934 -0.482881
N 1.429876 -0.163903 -1.965264
N 0.699447 0.053486 -0.986182
N -5.051143 -1.881922 1.553870
N -5.993592 -0.100937 2.814185
N -5.041325 0.281335 0.582551
C 2.660880 0.643754 -2.084202
C 3.144079 1.465102 -0.891323
C 3.869376 -0.311899 -2.299253
C 6.117832 -0.480573 -0.983996
C -2.967054 -1.898224 -0.260226
C 2.316213 2.560857 -0.328794
C 6.836685 -0.065489 0.151793
C 6.643174 -1.448154 -1.856796
C -0.536338 -0.680263 -0.835372
C -1.788789 -2.377270 0.329791
C -2.922988 -0.817377 -1.148754
C -0.564332 -1.774955 0.048465
C -1.704792 -0.200210 -1.445559
C 8.088857 -0.627652 0.403895
C 7.897702 -1.997559 -1.581424
C 8.622879 -1.592305 -0.457276
C -5.377678 -0.535803 1.650479
C 1.632843 3.586275 1.756601
C 0.189620 3.138764 1.817667
C -6.302806 1.220734 2.895250
C -6.003575 2.109756 1.837430
C -5.372533 1.594074 0.702282
C -6.971415 1.688529 4.141123
H 2.536865 1.304994 -2.993386
H 6.427655 0.686060 0.829464
H 6.089591 -1.778217 -2.739761
H -1.825033 -3.238937 1.009225
H -3.847590 -0.450543 -1.617884
H 0.354061 -2.143712 0.504402
H -1.666804 0.641116 -2.137138
H 8.652300 -0.309939 1.281657
H 8.310312 -2.749885 -2.254618
H -5.304850 -2.464191 2.373356
H 9.599835 -2.025839 -0.251996
H 1.761055 4.565942 1.263902
H 2.143836 3.564460 2.737514
H 0.104329 2.097497 2.158636
H -0.288104 3.189939 0.827221
H -0.397235 3.763583 2.501161
H -6.262603 3.159933 1.906778
H -5.111687 2.232496 -0.151873
H -7.974296 2.088904 3.927306
H -7.099688 0.874235 4.875763
H -6.393802 2.484098 4.633867


%chk=000270997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270997

0 1
S -3.946589 -2.648679 1.578309
O 3.139594 -0.028068 -3.463986
O 3.888112 2.784597 1.746599
O 1.948537 3.457046 0.615878
O -3.585818 -3.392485 2.978556
O -4.551500 -3.465772 0.321034
N 4.548259 0.343663 -1.557715
N 4.521221 1.136267 -0.385292
N 1.159008 0.823027 -1.274057
N 1.090956 0.337954 -0.075077
N -5.119279 -1.349259 2.178623
N -7.020237 -0.024845 1.923505
N -5.454898 -0.346121 0.062760
C 2.483799 1.488782 -1.549494
C 3.372231 1.793103 -0.363922
C 3.382419 0.506607 -2.360571
C 5.703774 -0.473662 -1.801927
C -2.428637 -1.670880 1.023092
C 2.988133 2.750401 0.695750
C 6.766287 -0.455998 -0.862157
C 5.779721 -1.286155 -2.962543
C -0.146885 -0.340206 0.224811
C -1.414393 -1.491776 1.975743
C -2.359077 -1.233044 -0.311767
C -0.252296 -0.809790 1.558057
C -1.193984 -0.555773 -0.714335
C 7.904415 -1.255074 -1.090502
C 6.929296 -2.078201 -3.171007
C 7.994923 -2.069926 -2.243444
C -5.895722 -0.553150 1.341677
C 3.555714 3.722220 2.868354
C 2.599792 3.056627 3.861554
C -7.777469 0.814074 1.154127
C -7.411913 1.083660 -0.194325
C -6.243033 0.473184 -0.692474
C -9.008741 1.414730 1.789051
H 2.248323 2.375082 -2.163402
H 6.686982 0.175492 0.025337
H 4.960154 -1.295403 -3.683325
H -1.525806 -1.888425 2.989322
H -3.196163 -1.413008 -0.990968
H 0.582607 -0.634269 2.243052
H -1.075513 -0.190665 -1.738426
H 8.722960 -1.239830 -0.362706
H 6.985954 -2.705118 -4.067472
H -5.496542 -1.581056 3.106664
H 8.882117 -2.688630 -2.414692
H 3.118213 4.641335 2.440331
H 4.538601 3.937507 3.315741
H 3.021510 2.109155 4.238455
H 1.622331 2.855462 3.392220
H 2.436179 3.729615 4.723539
H -8.018131 1.738787 -0.824667
H -5.911479 0.639041 -1.723049
H -9.922535 1.098605 1.252554
H -9.084773 1.092543 2.838409
H -8.974114 2.519099 1.753096


