%chk=000235586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235586

0 1
S -1.605705 -1.895982 -0.204004
O -1.747035 -3.195095 0.419086
O -2.074741 -1.662671 -1.548315
N -2.450735 -0.857032 0.883915
N 4.986391 -0.751578 1.197296
C 0.033807 -1.358929 -0.071312
C 1.848416 0.159164 -0.653855
C 2.726518 -0.561114 0.196404
C 0.485578 -0.271493 -0.774067
C 0.912768 -2.079791 0.784637
C 2.222692 -1.690221 0.914172
C 4.101646 -0.113427 0.298425
C 2.317121 1.297941 -1.377813
C 4.527602 0.995297 -0.421311
C -2.837171 0.486399 0.638120
C 3.624416 1.700987 -1.253972
C -2.824094 1.034653 -0.658665
C -3.227096 1.282532 1.739093
C -3.173937 2.373619 -0.838041
C -3.575359 2.616144 1.532624
C -3.543404 3.171615 0.248770
H -0.176199 0.290352 -1.443665
H 0.531560 -2.950798 1.329083
H 2.888055 -2.239886 1.579980
H 1.623852 1.835878 -2.020999
H -2.766707 -1.247306 1.782199
H 5.554216 1.346642 -0.349074
H 3.992083 2.571673 -1.798713
H -2.596164 0.418164 -1.533098
H -3.252790 0.863890 2.740938
H 4.788545 -1.716129 1.423661
H 5.971993 -0.590244 1.043659
H -3.165953 2.796691 -1.843022
H -3.873984 3.231030 2.381712
H -3.812183 4.213027 0.097152


%chk=000235586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235586

0 1
S -1.750540 -2.061247 -0.486250
O -1.837345 -3.570092 0.111226
O -2.165926 -1.676130 -2.006404
N -2.969337 -1.055027 0.660544
N 4.769485 -0.522654 1.494466
C 0.000404 -1.417753 -0.186408
C 1.778634 0.152135 -0.719969
C 2.599947 -0.472941 0.302996
C 0.455162 -0.352901 -0.949449
C 0.772312 -2.059052 0.818649
C 2.064351 -1.578688 1.043686
C 3.939815 0.040173 0.527784
C 2.281565 1.250369 -1.486559
C 4.397833 1.126841 -0.249021
C -2.934997 0.360588 0.534925
C 3.574939 1.721383 -1.242952
C -3.397936 0.952376 -0.675320
C -2.499897 1.193603 1.605585
C -3.423803 2.355691 -0.800079
C -2.568312 2.597095 1.481855
C -3.020081 3.184190 0.276287
H -0.173860 0.085449 -1.731781
H 0.369292 -2.921776 1.357525
H 2.666616 -2.083714 1.807035
H 1.647354 1.707364 -2.252566
H -2.755345 -1.412621 1.609588
H 5.409048 1.517273 -0.082152
H 3.970738 2.561712 -1.823532
H -3.736351 0.301469 -1.486588
H -2.124556 0.738578 2.531267
H 4.482353 -1.312507 2.061659
H 5.707322 -0.157314 1.632300
H -3.780218 2.806245 -1.732983
H -2.254034 3.231549 2.318000
H -3.060630 4.274335 0.177635


