%chk=000249525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249525

0 1
S -3.863023 -2.347288 0.078912
O 1.474468 1.490818 0.274804
O -2.201607 -1.827251 -0.095449
O -4.266085 -2.121237 1.433190
O -4.625889 -1.852790 -1.025981
N -2.222393 -0.445891 -0.005382
C 1.356212 0.054539 0.568352
C 0.263044 -0.593413 -0.283722
C -1.050646 0.122205 -0.095780
C 2.721831 -0.510455 0.262277
C -0.961338 1.589836 -0.035600
C 0.303431 2.193879 0.131233
C -2.081491 2.430796 -0.171947
C 3.189515 -1.607145 1.001323
C 3.513765 0.041083 -0.753241
C 0.467030 3.591205 0.139513
C -1.932809 3.816158 -0.156896
C -0.661256 4.391856 -0.007241
C 4.443789 -2.152121 0.715328
C 4.770295 -0.505013 -1.030659
C 5.234875 -1.602671 -0.299779
C -3.455672 -4.023356 -0.163369
H 1.111466 0.003119 1.655520
H 0.169417 -1.672513 -0.032973
H 0.537371 -0.566278 -1.362479
H -3.073612 1.985048 -0.294386
H 2.582420 -2.034364 1.797490
H 3.147963 0.905315 -1.311333
H 1.461131 4.013978 0.264187
H -2.806442 4.456011 -0.262935
H -0.557170 5.477743 -0.002098
H 4.807759 -3.004305 1.287171
H 5.387336 -0.072490 -1.816961
H 6.213027 -2.028162 -0.517808
H -3.973914 -4.472429 -1.025416
H -2.382147 -4.188465 -0.352572
H -3.699654 -4.656552 0.704106


%chk=000249525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249525

0 1
S -3.375916 -3.169747 0.574804
O 1.507160 1.488381 -0.122969
O -1.726335 -2.304338 -0.103384
O -3.071790 -4.743666 0.390390
O -3.787409 -2.538295 2.003050
N -1.992911 -0.887855 -0.099284
C 1.538458 0.144175 0.526398
C 0.516726 -0.790285 -0.156444
C -0.872326 -0.180110 -0.129522
C 2.959090 -0.378175 0.438623
C -0.970133 1.288247 -0.213393
C 0.232176 2.059179 -0.252983
C -2.212864 1.973721 -0.327969
C 3.473462 -1.185714 1.481958
C 3.760404 -0.119711 -0.700553
C 0.190774 3.460239 -0.439411
C -2.259593 3.367238 -0.495089
C -1.050693 4.110815 -0.562441
C 4.769261 -1.740211 1.384674
C 5.059411 -0.666225 -0.793261
C 5.565930 -1.482086 0.245425
C -4.572425 -2.539953 -0.766111
H 1.244484 0.287764 1.587140
H 0.506187 -1.776247 0.340895
H 0.828560 -0.967847 -1.205060
H -3.133870 1.383925 -0.293599
H 2.863130 -1.380632 2.372973
H 3.372062 0.528128 -1.492980
H 1.135135 4.011802 -0.468552
H -3.223890 3.878360 -0.580217
H -1.080559 5.196954 -0.700953
H 5.157708 -2.364346 2.196941
H 5.677294 -0.455131 -1.673263
H 6.573178 -1.906914 0.171191
H -5.574749 -2.868907 -0.459052
H -4.449994 -1.448876 -0.767021
H -4.234134 -3.004256 -1.701552


