%chk=000217964.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217964

0 1
S -2.023473 0.551058 -0.533054
O -0.641387 -3.037900 -0.262366
O -5.430346 -1.359476 1.202810
O -5.114510 -1.101010 -1.001219
N 0.557029 1.493892 -0.153627
N 0.162629 -0.870545 -0.220950
C 0.185136 2.917796 -0.197355
C 1.460977 3.755527 0.064582
C -0.824418 3.344367 0.896380
C 0.989688 5.035214 0.773382
C -0.454469 4.792567 1.257472
C -0.228423 0.503512 -0.268991
C -2.238870 -1.252343 -0.594782
C -0.860907 -1.853342 -0.347113
C -3.229853 -1.699954 0.463581
C 1.557185 -1.256904 -0.035821
C 2.548266 -0.680894 -0.839434
C 1.871590 -2.217177 0.939248
C 3.886593 -1.064520 -0.656814
C -4.637549 -1.349088 0.078625
C 3.206230 -2.592875 1.102535
C 4.210917 -2.022609 0.316201
C 4.949318 -0.450374 -1.508440
H -0.226034 3.163779 -1.211737
H 1.996837 3.970526 -0.872461
H 2.170130 3.190687 0.700477
H -0.738264 2.692549 1.785085
H -1.866518 3.265572 0.548387
H 1.654016 5.279544 1.619578
H 1.029947 5.901074 0.090611
H -1.148585 5.503951 0.777288
H -0.543068 4.960824 2.343896
H -2.595243 -1.544235 -1.621893
H -3.161928 -2.810310 0.609464
H -2.990467 -1.276991 1.469689
H 2.291690 0.069640 -1.586077
H 1.090213 -2.677128 1.541604
H 3.464740 -3.340256 1.852898
H 5.245715 -2.325244 0.459424
H 4.802230 -0.702133 -2.569084
H 4.938127 0.646790 -1.431127
H 5.959210 -0.782267 -1.235416
H -6.383102 -1.147593 1.004142


%chk=000217964-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217964

0 1
S -2.178285 0.655635 -0.483533
O -0.710684 -3.056063 -0.539985
O -5.692843 -1.948842 0.686216
O -5.110166 -1.087309 -1.391656
N 0.462689 1.475972 0.178721
N 0.070131 -0.852953 -0.184181
C 0.032886 2.875644 0.279424
C 0.941944 3.815530 -0.564775
C 0.192628 3.433154 1.719449
C 0.893117 5.205518 0.149352
C 0.151480 4.966078 1.506849
C -0.337355 0.515965 -0.107013
C -2.298902 -1.213755 -0.740841
C -0.911226 -1.814769 -0.482039
C -3.352259 -1.875272 0.162013
C 1.449656 -1.243953 0.062311
C 2.491125 -0.641938 -0.673131
C 1.722264 -2.241105 1.025459
C 3.838095 -1.020972 -0.451155
C -4.767144 -1.576289 -0.293559
C 3.060425 -2.628518 1.243228
C 4.109156 -2.022951 0.514387
C 4.959047 -0.358013 -1.233065
H -1.028439 3.009350 -0.035942
H 0.616834 3.860207 -1.618800
H 1.964859 3.396840 -0.548790
H 1.177196 3.111523 2.109101
H -0.586121 3.062044 2.408420
H 1.916427 5.585153 0.319624
H 0.367896 5.960979 -0.461653
H -0.898941 5.306041 1.431186
H 0.613085 5.517709 2.344499
H -2.564660 -1.377615 -1.799377
H -3.204174 -2.973707 0.121007
H -3.233862 -1.573375 1.216862
H 2.254517 0.132927 -1.408737
H 0.905687 -2.713088 1.577923
H 3.285228 -3.404269 1.983026
H 5.146009 -2.330749 0.694386
H 4.779618 -0.415099 -2.322592
H 5.047135 0.714053 -0.973522
H 5.932238 -0.834667 -1.025226
H -6.615313 -1.771352 0.355730


