%chk=000290106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290106

0 1
S 2.657306 -0.228751 0.356738
O 2.908809 0.045059 1.749722
O 3.781059 -0.508389 -0.508507
O -3.710873 -0.062019 0.126161
N -0.849228 -0.075431 0.029608
C 0.478892 -0.309497 -0.616425
C 1.492199 0.877773 -0.435461
C 1.331329 -1.387377 0.104856
C 1.095673 2.030293 0.453960
C -1.653397 0.911290 -0.770570
C -1.629675 -1.352715 0.163009
C -2.980419 1.169720 -0.040433
C -2.958912 -1.041462 0.870095
H 0.376437 -0.556040 -1.702300
H 1.827355 1.263141 -1.419652
H 0.878614 -1.773300 1.032242
H 1.557909 -2.269533 -0.503709
H 1.935001 2.714261 0.635332
H 0.277377 2.616477 0.007027
H 0.727829 1.688063 1.436538
H -1.855783 0.564152 -1.806633
H -1.074006 1.860887 -0.843963
H -1.041996 -2.067718 0.778905
H -1.827591 -1.841857 -0.814853
H -2.820050 1.630732 0.950460
H -3.676404 1.780321 -0.641865
H -3.640535 -1.910013 0.877498
H -2.798121 -0.668469 1.897420


%chk=000290106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290106

0 1
S 2.895363 -0.233390 -0.004812
O 3.777056 0.153315 1.313326
O 3.608240 -0.773613 -1.373120
O -3.838273 -0.138610 -0.125013
N -0.932409 -0.060493 0.021248
C 0.442021 -0.271134 -0.473338
C 1.350472 1.010852 -0.390613
C 1.271094 -1.276247 0.376141
C 1.180484 1.943246 0.797804
C -1.695913 0.866238 -0.866297
C -1.686817 -1.339203 0.177804
C -3.093248 1.120423 -0.279537
C -3.084534 -1.051132 0.749171
H 0.454782 -0.625174 -1.534222
H 1.550149 1.517324 -1.348018
H 1.105856 -1.188428 1.460887
H 1.362100 -2.310975 0.021684
H 2.098081 2.537655 0.953363
H 0.345572 2.645971 0.620169
H 0.959355 1.394678 1.727070
H -1.801215 0.440085 -1.894861
H -1.153278 1.825383 -0.950602
H -1.140981 -2.003696 0.872474
H -1.793012 -1.871050 -0.800112
H -2.998004 1.625314 0.705796
H -3.699852 1.742002 -0.958112
H -3.685856 -1.973178 0.803841
H -2.988433 -0.606566 1.763080


