%chk=000222674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222674

0 1
S 1.206497 0.007084 -0.044898
O 1.167614 -1.047830 0.951019
O 1.128503 1.390143 0.387850
N -0.078120 -0.275731 -1.179118
N -2.812750 -0.071555 -0.133028
C -0.914779 -1.478957 -0.905005
C -0.949249 0.901295 -1.459538
C -1.944451 -1.243669 0.220301
C -1.979117 1.159334 -0.339416
C 2.618655 -0.208349 -1.076484
C -3.820267 0.164840 0.944182
C 3.881479 -0.003856 -0.257379
H -0.260866 -2.339426 -0.641997
H -1.443590 -1.741861 -1.850938
H -1.479133 0.704459 -2.420811
H -0.320973 1.806990 -1.608152
H -2.598945 -2.137070 0.311315
H -1.420540 -1.131777 1.196608
H -1.458364 1.504561 0.582478
H -2.658372 1.982793 -0.648153
H 2.626501 -1.213537 -1.548216
H 2.602567 0.492896 -1.937277
H -4.480134 0.993787 0.641601
H -3.398123 0.401714 1.932333
H -4.454590 -0.730578 1.044068
H 4.779563 -0.133813 -0.876478
H 3.935046 1.007320 0.174583
H 3.958038 -0.724407 0.571451


%chk=000222674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222674

0 1
S 1.265965 0.026543 0.012954
O 1.288280 -1.164518 1.137240
O 1.276911 1.602338 0.459984
N -0.161410 -0.286973 -1.269332
N -2.862194 -0.068827 -0.119778
C -0.961800 -1.484840 -0.861022
C -0.998656 0.946284 -1.409932
C -2.002869 -1.220158 0.245524
C -2.037709 1.151519 -0.289767
C 2.787056 -0.250173 -1.147242
C -3.968348 0.131097 0.836715
C 4.067073 -0.015684 -0.350778
H -0.268400 -2.282287 -0.543025
H -1.475990 -1.808792 -1.786764
H -1.515376 0.827105 -2.382051
H -0.329311 1.821776 -1.467916
H -2.638599 -2.118440 0.357898
H -1.469484 -1.058038 1.215666
H -1.505220 1.435588 0.652824
H -2.699263 1.993376 -0.567838
H 2.648448 -1.283033 -1.502081
H 2.615637 0.468540 -1.963207
H -4.611994 0.960134 0.491533
H -3.619660 0.370923 1.872408
H -4.585730 -0.783872 0.886325
H 4.939011 -0.166500 -1.013687
H 4.107187 1.014170 0.043536
H 4.148545 -0.722457 0.492715


