%chk=000239623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239623

0 1
S 2.221744 4.052891 -2.505583
S -3.216549 3.403027 -0.528525
S 1.495728 -3.456199 0.664181
O 0.539556 -0.865832 2.440857
O -1.318362 -3.522246 -0.914501
N 1.329283 0.979882 0.599038
N -2.253036 -0.962749 -0.496470
N 2.091436 -0.136449 0.881342
N -1.445643 -1.609878 0.407907
C 0.787622 3.076091 -0.358165
C 3.090654 2.007111 -0.887034
C -2.200966 1.214897 0.778703
C -3.563537 0.802740 -1.384442
C 1.764905 1.937711 -0.170470
C -2.616985 0.277610 -0.326337
C 0.641802 3.461413 -1.817043
C 3.455045 3.413129 -1.332150
C -3.157144 2.375674 0.974010
C -3.161096 2.179202 -1.879255
C 2.288958 -2.392742 1.921370
C -0.232735 -3.568628 1.244392
C 1.554129 -1.064944 1.792434
C -1.043913 -2.935579 0.104417
C 3.774342 -2.400752 1.643854
C -0.596327 -5.028203 1.409115
H 1.108889 3.942204 0.261438
H -0.221863 2.791342 0.053547
H 3.056255 1.326067 -1.770337
H 3.902502 1.617473 -0.234014
H -1.166337 1.595896 0.556248
H -2.086910 0.665055 1.740709
H -4.596347 0.807720 -0.970910
H -3.607853 0.093131 -2.246300
H -0.098884 4.278934 -1.939022
H 0.286622 2.608206 -2.427492
H 3.542915 4.102367 -0.470629
H 4.429571 3.430468 -1.860053
H -2.829004 3.038238 1.799050
H -4.176685 2.026671 1.225584
H -3.847238 2.536424 -2.672029
H -2.141334 2.168008 -2.308774
H 2.092726 -2.793025 2.950714
H -0.363470 -3.023945 2.213835
H 2.891329 -0.392014 0.293305
H -1.053930 -1.109868 1.229395
H 4.301831 -1.661111 2.264360
H 4.029538 -2.201669 0.593858
H 4.214846 -3.383145 1.883532
H -0.550764 -5.573444 0.450384
H 0.065351 -5.544434 2.115879
H -1.626868 -5.141227 1.777675


%chk=000239623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239623

0 1
S 2.707539 3.753050 -2.893244
S -2.854829 3.315601 -0.400002
S 1.529859 -3.373240 0.475887
O 0.223580 -0.733267 2.229989
O -1.658720 -3.810545 -0.931537
N 1.241567 1.277811 0.569496
N -2.534912 -1.170028 -0.531780
N 1.950835 0.109301 0.891176
N -1.667966 -1.827792 0.345604
C 1.083127 3.418745 -0.526692
C 3.295837 2.038360 -0.692949
C -2.448977 0.849214 0.997704
C -3.831985 0.731484 -1.218609
C 1.866270 2.173720 -0.169069
C -2.897583 0.060280 -0.228714
C 0.992045 3.646347 -2.050015
C 3.792815 3.305070 -1.410145
C -3.146090 2.214022 1.117752
C -3.256885 2.048579 -1.778458
C 2.153808 -2.166054 1.836780
C -0.277076 -3.710744 1.093640
C 1.367362 -0.863554 1.689405
C -1.264820 -3.135450 0.055729
C 3.686801 -2.094952 1.726404
C -0.474932 -5.220569 1.275453
H 1.552128 4.305686 -0.055424
H 0.056652 3.329423 -0.126339
H 3.355289 1.185082 -1.402414
H 3.985326 1.808550 0.150802
H -1.348593 0.992713 0.982471
H -2.658306 0.261119 1.918767
H -4.812135 0.938306 -0.743358
H -4.010314 0.025928 -2.049526
H 0.475671 4.595904 -2.260576
H 0.446033 2.820198 -2.533427
H 3.843013 4.165081 -0.721655
H 4.795254 3.143696 -1.839195
H -2.730975 2.792267 1.959642
H -4.234199 2.111243 1.266041
H -3.983082 2.538617 -2.447106
H -2.321261 1.858246 -2.329228
H 1.857684 -2.605658 2.802896
H -0.342971 -3.166195 2.051360
H 2.864928 -0.092682 0.469099
H -1.220189 -1.339079 1.143923
H 4.097569 -1.358518 2.441424
H 4.029660 -1.832061 0.706978
H 4.120854 -3.081308 1.960828
H -0.405351 -5.735079 0.302916
H 0.278320 -5.636140 1.965629
H -1.483879 -5.419228 1.683266


