%chk=000268532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268532

0 1
S -4.342858 -1.172997 0.655747
S 4.256713 -0.768575 1.807378
O -1.468921 -2.513067 2.834898
O -3.539224 -3.076744 2.524959
N -2.556656 -2.388997 2.293185
C -1.821204 -0.465182 0.784039
C -2.458477 0.441579 -0.164947
C -3.835991 0.163792 -0.342489
C 2.000185 -0.328580 0.622529
C 3.022396 0.324542 -0.202063
C -2.731275 -1.351849 1.308307
C -0.409729 -0.442687 1.142492
C 4.322182 0.169085 0.333577
C 0.588546 -0.303951 0.254250
C -1.885711 1.524736 -0.861819
C -4.637445 0.909940 -1.211232
C 2.521001 -0.947429 1.718146
C 2.861329 1.051813 -1.393535
C -2.678738 2.269832 -1.723601
C 5.451212 0.711160 -0.278870
C -4.045826 1.961471 -1.902455
C 3.984265 1.595160 -2.011193
C 5.270351 1.427867 -1.460044
H -0.212697 -0.605043 2.213864
H 0.388115 -0.180882 -0.816256
H -0.835894 1.776202 -0.710394
H -5.693513 0.676056 -1.339277
H 1.993741 -1.510805 2.474898
H 1.872721 1.186297 -1.825814
H -2.250367 3.109874 -2.270213
H 6.442432 0.578886 0.151206
H -4.640828 2.564792 -2.589576
H 3.873684 2.159907 -2.936412
H 6.129581 1.865399 -1.966986


%chk=000268532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268532

0 1
S -4.441144 -1.373311 0.464840
S 4.281986 -0.235445 2.131329
O -1.402671 -2.823388 2.583482
O -3.572845 -3.459450 2.196870
N -2.563271 -2.655915 2.017551
C -1.844163 -0.560455 0.724878
C -2.504270 0.418863 -0.149315
C -3.881316 0.114474 -0.402830
C 2.001240 -0.026881 0.735514
C 3.067727 0.401905 -0.180165
C -2.772455 -1.528695 1.153206
C -0.440006 -0.550249 1.115595
C 4.366760 0.353235 0.412970
C 0.592388 -0.046423 0.354718
C -1.978714 1.628515 -0.689660
C -4.698810 0.928201 -1.212694
C 2.505009 -0.387722 1.983018
C 2.964896 0.833807 -1.530354
C -2.788188 2.448407 -1.494173
C 5.535623 0.717376 -0.282980
C -4.137348 2.094059 -1.771024
C 4.124417 1.201547 -2.238098
C 5.403820 1.145942 -1.620896
H -0.213947 -1.060546 2.056175
H 0.372799 0.325199 -0.653315
H -0.960794 1.943206 -0.446370
H -5.746711 0.670580 -1.395571
H 1.950118 -0.739224 2.851640
H 1.989376 0.874837 -2.027113
H -2.380002 3.379563 -1.900609
H 6.519434 0.669901 0.194338
H -4.753273 2.742698 -2.402822
H 4.041813 1.532188 -3.278892
H 6.295617 1.434803 -2.186944


