%chk=000271657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271657

0 1
S -0.406101 -0.467284 -1.496028
O -0.045538 0.749662 2.164195
N -1.701200 -0.109890 0.790600
N -3.030931 -1.013235 -0.977794
C 0.598637 0.248062 -0.137611
C 1.773772 -0.695371 0.194818
C 1.056336 1.652441 -0.529767
C -0.379249 0.339260 1.085424
C 1.295676 -2.040134 0.750537
C 2.696830 -0.911505 -1.008109
C -0.080485 2.639186 -0.772491
C -1.876927 -0.536599 -0.442938
H 2.365500 -0.184284 1.005202
H 1.705446 1.602137 -1.429200
H 1.706923 2.045725 0.285643
H 0.693894 -2.603295 0.028196
H 2.148914 -2.675552 1.017470
H 0.696377 -1.921175 1.662519
H 2.212906 -1.492238 -1.802912
H 3.593829 -1.469661 -0.712161
H 3.035436 0.034086 -1.445729
H -0.719151 2.343101 -1.613187
H -0.725642 2.752477 0.109252
H 0.314820 3.635937 -1.004845
H -3.084945 -1.323257 -1.933395
H -3.870028 -1.068095 -0.414688


%chk=000271657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271657

0 1
S -0.474542 -0.521145 -1.614095
O -0.004077 0.806554 2.126292
N -1.726250 -0.113387 0.794162
N -3.093783 -1.038547 -0.889410
C 0.578302 0.236900 -0.184731
C 1.761749 -0.714076 0.194792
C 1.053541 1.664154 -0.576098
C -0.415219 0.338516 1.034603
C 1.283029 -2.097593 0.694018
C 2.798277 -0.875773 -0.941101
C -0.074779 2.692569 -0.792774
C -1.901305 -0.556840 -0.441556
H 2.248761 -0.197819 1.049333
H 1.680693 1.602596 -1.483621
H 1.706269 2.005335 0.252222
H 0.774318 -2.656283 -0.112637
H 2.149847 -2.695447 1.028704
H 0.590088 -2.007757 1.548981
H 2.337040 -1.345243 -1.830917
H 3.620402 -1.533297 -0.604844
H 3.246770 0.085105 -1.247428
H -0.754237 2.377463 -1.604825
H -0.670478 2.833957 0.126116
H 0.352964 3.672907 -1.069233
H -3.211311 -1.377606 -1.841308
H -3.880969 -1.054743 -0.241642


