%chk=000281431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281431

0 1
S -6.052910 1.134742 0.559753
O 3.589237 -1.687973 1.629523
O 0.868806 -3.029825 -1.381636
O -6.845558 0.510513 -0.478729
O -6.580703 1.337674 1.892966
N 2.772241 -0.204136 0.049187
N 0.235293 -1.248426 0.637244
N -0.859438 -1.723401 0.983033
N -5.663811 2.703041 -0.031335
C 1.403950 -2.148342 0.796284
C 3.876801 0.712995 -0.041183
C 3.797439 1.770796 -0.986827
C 2.699686 -1.307412 0.890232
C -4.521839 0.343598 0.666489
C 5.012315 0.574103 0.771550
C 4.872691 2.661520 -1.083796
C -2.056694 -0.927496 0.839610
C 1.538054 -3.142950 -0.388741
C -4.025867 -0.365270 -0.433360
C -3.786696 0.409645 1.855157
C 2.608404 1.951828 -1.874564
C -2.786819 -1.002602 -0.359025
C -2.545877 -0.221684 1.952077
C 6.070079 1.478282 0.651489
C 6.003545 2.521279 -0.273133
C 2.547463 -4.215027 -0.159685
H 1.351547 -2.755294 1.749364
H 1.940809 0.038581 -0.506173
H 5.077514 -0.240432 1.501971
H 4.829314 3.478611 -1.803765
H -4.612825 -0.430014 -1.358125
H -4.186844 0.951982 2.721098
H 2.462381 1.087162 -2.538998
H 1.684723 2.104342 -1.297687
H 2.709464 2.829278 -2.529709
H -2.393437 -1.556919 -1.212624
H -1.970903 -0.174014 2.876133
H 6.948212 1.363049 1.286120
H 6.828097 3.225404 -0.365774
H 3.423284 -3.877279 0.422576
H 2.111373 -5.062658 0.392934
H 2.922221 -4.624069 -1.112149
H -5.980011 2.955896 -0.965067
H -5.798613 3.497407 0.590393


%chk=000281431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281431

0 1
S -5.694661 1.492470 0.010762
O 3.899450 -1.909201 1.475896
O 1.112001 -3.531292 -1.180127
O -5.856360 1.561697 -1.607926
O -6.849848 0.941736 1.017361
N 2.726571 -0.348181 0.135966
N 0.396003 -1.479682 0.555525
N -0.650729 -1.670817 1.295017
N -5.277378 3.195632 0.565482
C 1.539425 -2.331701 0.935720
C 3.697112 0.654353 -0.149583
C 3.284899 1.746881 -0.977006
C 2.857635 -1.495125 0.886903
C -4.112008 0.535574 0.384650
C 5.020181 0.588161 0.359930
C 4.231629 2.755316 -1.267328
C -1.801579 -0.888258 0.921027
C 1.692377 -3.531112 -0.071044
C -3.135013 0.457847 -0.624697
C -4.002956 -0.088256 1.637297
C 1.872939 1.824686 -1.534581
C -1.960523 -0.265765 -0.348545
C -2.826927 -0.821185 1.898363
C 5.939110 1.611927 0.049282
C 5.551407 2.699769 -0.763684
C 2.581929 -4.649484 0.429264
H 1.436654 -2.749278 1.955956
H 1.769437 -0.215692 -0.225316
H 5.309555 -0.257196 0.987231
H 3.926607 3.596796 -1.900618
H -3.310713 0.922711 -1.600047
H -4.819098 -0.025984 2.363454
H 1.635383 0.957714 -2.182860
H 1.107375 1.864508 -0.733471
H 1.747863 2.732701 -2.146700
H -1.175167 -0.379791 -1.101643
H -2.681510 -1.343229 2.848812
H 6.958942 1.555168 0.445076
H 6.264959 3.494606 -1.005429
H 3.487534 -4.237698 0.910488
H 2.040082 -5.229432 1.202021
H 2.847457 -5.322592 -0.400375
H -5.344849 3.825193 -0.251606
H -5.919099 3.452008 1.334201


