%chk=000239944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239944

0 1
S 4.198738 2.314637 -0.393679
O -1.813640 -0.758440 0.719163
O -3.805195 0.236458 -1.917755
O -4.107075 -2.462589 -1.609803
O -0.482492 -3.293197 -0.861907
O -5.942933 2.071460 1.531675
O 4.724937 2.541583 0.926216
O 4.718515 3.082572 -1.508233
N -4.434436 0.383639 1.742590
N -1.591314 1.324321 -0.473373
N 4.688755 0.696116 -0.918817
N 3.117031 -0.365919 0.471404
N 2.588708 -2.714855 0.207686
C -3.785948 0.711786 0.459815
C -4.296066 -0.243702 -0.649564
C -3.710518 -1.666338 -0.503505
C -2.242538 0.613456 0.633290
C -2.168398 -1.632224 -0.384666
C -1.583638 -3.004518 -0.005059
C -0.237112 1.693571 -0.418146
C -5.522807 1.148493 2.204371
C 0.457882 1.770686 0.810091
C 0.424250 2.030680 -1.629719
C -6.075199 0.723766 3.530331
C 1.820583 2.041767 0.804581
C 1.781714 2.313256 -1.607109
C 2.503744 2.269716 -0.403254
C 4.083161 -0.484135 -0.511363
C 4.376231 -1.739637 -1.098016
C 3.594557 -2.838689 -0.716027
C 2.400862 -1.484954 0.788298
C 3.805972 -4.189390 -1.306526
C 1.319889 -1.358152 1.806334
H -4.062211 1.772458 0.174805
H -5.407753 -0.275558 -0.675357
H -4.177795 -2.187997 0.364982
H -1.898343 0.999912 1.629968
H -1.694484 -1.253240 -1.317505
H -4.065693 -0.412127 2.254541
H -2.307074 -3.817143 -0.233053
H -1.288855 -3.040108 1.057700
H -2.005283 1.164304 -1.404748
H -4.445155 0.868463 -2.311942
H -3.795116 -2.052989 -2.456548
H 0.375788 -3.041299 -0.437279
H -0.054704 1.591235 1.751157
H -0.122621 2.051345 -2.568330
H -6.471399 -0.300760 3.515786
H -6.912687 1.384938 3.816445
H -5.332694 0.786739 4.337889
H 2.375425 2.056760 1.752757
H 2.299954 2.557132 -2.542204
H 5.463051 0.609687 -1.591416
H 5.167054 -1.848486 -1.829501
H 4.814350 -4.568849 -1.083985
H 3.086391 -4.930576 -0.916865
H 3.690966 -4.172331 -2.400507
H 1.574283 -0.615020 2.577844
H 0.374647 -1.021104 1.333852
H 1.117636 -2.316011 2.309288


%chk=000239944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239944

0 1
S 4.457994 2.366788 -0.393414
O -1.752566 -0.703801 0.941306
O -3.548175 0.190074 -2.031521
O -3.839052 -2.550202 -1.623674
O -0.200247 -3.381569 -0.401550
O -6.309105 1.489006 1.068875
O 4.983205 2.826089 1.058224
O 5.013526 3.053664 -1.760047
N -4.375684 0.356599 1.653031
N -1.470227 1.287802 -0.491084
N 4.955763 0.533032 -0.742598
N 3.441704 -0.412762 0.788667
N 2.225225 -2.435964 0.258081
C -3.702737 0.718232 0.398051
C -4.108103 -0.273754 -0.726374
C -3.536186 -1.686506 -0.484555
C -2.175136 0.704059 0.626833
C -2.012140 -1.657632 -0.188074
C -1.465223 -3.045026 0.218666
C -0.131055 1.679776 -0.440453
C -5.671506 0.787999 1.913074
C 0.562935 1.841321 0.797241
C 0.569534 1.925037 -1.662763
C -6.238686 0.378141 3.267464
C 1.935027 2.131763 0.813799
C 1.945146 2.211966 -1.656517
C 2.602866 2.277222 -0.413874
C 4.124745 -0.521204 -0.398408
C 3.961865 -1.662482 -1.243398
C 2.979640 -2.605846 -0.886051
C 2.517559 -1.372357 1.068422
C 2.663552 -3.814800 -1.730946
C 1.731648 -1.250626 2.349282
H -4.045064 1.730358 0.116474
H -5.210180 -0.318978 -0.794079
H -4.067775 -2.143656 0.368552
H -1.942903 1.232688 1.565996
H -1.464846 -1.316266 -1.090039
H -3.883303 -0.274621 2.290538
H -2.179973 -3.807855 -0.138069
H -1.423397 -3.088287 1.328868
H -1.918970 1.145876 -1.405658
H -4.249012 0.669350 -2.535789
H -3.499833 -2.086633 -2.434782
H 0.633873 -3.021036 0.074485
H 0.051651 1.685902 1.750058
H 0.036566 1.850976 -2.617496
H -6.037767 -0.684104 3.496519
H -7.325043 0.548602 3.265505
H -5.791756 0.990808 4.071943
H 2.492089 2.198922 1.751802
H 2.495223 2.369085 -2.590008
H 5.456898 0.521776 -1.641095
H 4.538076 -1.779427 -2.165323
H 2.962838 -4.736864 -1.197963
H 1.573188 -3.885571 -1.893745
H 3.189685 -3.783878 -2.698805
H 2.133623 -0.431330 2.963521
H 0.666431 -1.054079 2.120833
H 1.777477 -2.195201 2.919137


