%chk=000269657.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269657

0 1
S 2.448853 1.044310 -0.203388
O -1.173645 -2.342630 -0.620959
N -0.171099 1.540642 -0.052382
N 0.458527 -0.744549 -0.421980
C -1.549629 1.202194 -0.064904
C -1.927475 -0.095917 -0.253809
C 0.764896 0.508617 -0.237892
C -2.499687 2.332872 0.136179
C -0.919273 -1.172677 -0.448341
C -3.356364 -0.514118 -0.277277
C 3.375958 -0.511828 -0.469334
C 4.835614 -0.126540 -0.450883
H 0.114943 2.507286 0.087704
H -2.019300 3.309607 0.276483
H -3.135899 2.155983 1.020325
H -3.180731 2.429075 -0.726786
H -3.862500 -0.294422 0.672079
H -3.445507 -1.603868 -0.443278
H -3.913349 -0.022220 -1.085626
H 3.113654 -1.242786 0.323087
H 3.064457 -0.972612 -1.429331
H 5.097343 0.585991 -1.245952
H 5.146760 0.314600 0.506687
H 5.467453 -1.015310 -0.606320


%chk=000269657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269657

0 1
S 2.486804 1.184762 -0.193188
O -1.156099 -2.371531 -0.626169
N -0.204102 1.551358 -0.054130
N 0.482675 -0.702357 -0.420721
C -1.567303 1.211592 -0.063886
C -1.932431 -0.110140 -0.255340
C 0.761631 0.564617 -0.235426
C -2.549117 2.342115 0.140349
C -0.883232 -1.147617 -0.446669
C -3.378975 -0.547566 -0.277615
C 3.398021 -0.463365 -0.470900
C 4.908353 -0.201536 -0.457454
H 0.076317 2.524287 0.087294
H -2.043117 3.314039 0.277758
H -3.179179 2.158115 1.028906
H -3.229281 2.431957 -0.725547
H -3.896067 -0.319911 0.674247
H -3.413290 -1.637017 -0.439507
H -3.948798 -0.056094 -1.089488
H 3.069194 -1.140682 0.331508
H 3.036781 -0.862551 -1.430575
H 5.211727 0.492561 -1.260825
H 5.243772 0.214117 0.508962
H 5.439716 -1.157451 -0.617483


