%chk=000221211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221211

0 1
S 2.469962 -0.020645 0.687083
O 2.590862 1.139437 1.553457
O 3.108020 -1.278502 1.034450
N -3.263895 -1.036839 -0.327053
N 3.142852 0.450492 -0.838611
C -2.483559 1.621411 0.510751
C -1.483923 0.515501 0.323472
C -3.728834 1.403920 -0.358790
C -1.926640 -0.785452 -0.076513
C -4.304959 0.000096 -0.127219
C 0.800888 -0.313206 0.387516
C -0.131391 0.723486 0.552757
C -0.983425 -1.834980 -0.229510
C 0.361087 -1.587813 0.015248
C 3.196212 -0.619359 -1.860416
C 2.673470 1.755404 -1.356710
H -2.770313 1.674544 1.583039
H -2.029242 2.604211 0.272120
H -4.495911 2.167894 -0.133212
H -3.466068 1.535191 -1.427761
H -4.710120 -0.081061 0.909169
H -5.145926 -0.197778 -0.827775
H -3.569367 -1.957240 -0.612470
H 0.218228 1.710282 0.880559
H -1.309433 -2.828155 -0.520268
H 1.084021 -2.407297 -0.077115
H 3.648633 -1.526032 -1.411687
H 3.863417 -0.311420 -2.684610
H 2.218558 -0.881523 -2.294611
H 1.636825 1.749290 -1.728866
H 3.329782 2.084700 -2.181325
H 2.767188 2.516441 -0.556801


%chk=000221211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221211

0 1
S 2.542944 -0.007680 0.700353
O 2.645945 1.321041 1.636759
O 3.221663 -1.435461 1.089744
N -3.352378 -1.023251 -0.312910
N 3.399174 0.494151 -0.933819
C -2.584406 1.629188 0.541695
C -1.560140 0.521246 0.331470
C -3.843809 1.400665 -0.326470
C -2.002499 -0.782777 -0.079405
C -4.403010 -0.017380 -0.085203
C 0.725271 -0.320318 0.371000
C -0.186313 0.737708 0.545798
C -1.049943 -1.835117 -0.243457
C 0.317218 -1.612434 -0.013254
C 3.345762 -0.623011 -1.904354
C 2.852846 1.780286 -1.423892
H -2.882828 1.664693 1.609726
H -2.132006 2.611275 0.312913
H -4.622905 2.144639 -0.080781
H -3.591207 1.516201 -1.397023
H -4.798578 -0.085871 0.951487
H -5.243030 -0.222188 -0.774376
H -3.634546 -1.970582 -0.561755
H 0.177451 1.715709 0.882859
H -1.393847 -2.833711 -0.539334
H 1.048506 -2.422932 -0.095407
H 3.646543 -1.552173 -1.392158
H 4.091235 -0.410912 -2.692665
H 2.350280 -0.759539 -2.386053
H 1.845853 1.696833 -1.893895
H 3.560588 2.173941 -2.176325
H 2.817165 2.492759 -0.582968


