%chk=000189924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189924

0 1
S -0.272463 3.491990 0.084774
O -1.777407 -0.736321 0.953571
O -3.336996 2.176889 0.495187
O -4.751885 0.172669 -0.119037
O -1.398162 -3.087366 -0.373311
O 4.401638 0.071265 -0.665985
N -0.092408 0.783158 0.347191
N 1.853924 1.782594 -0.236196
N 0.791424 -1.588965 0.478869
N 3.152828 -1.785028 -0.100830
N 1.850135 -3.730107 0.301448
C -1.501116 0.656564 0.814941
C -2.516737 1.255682 -0.205358
C -3.435550 0.072649 -0.620026
C -2.751371 -1.190671 -0.032325
C 0.892470 -0.219970 0.253939
C -2.034062 -2.016342 -1.104362
C 0.533955 2.034919 0.057115
C 2.098845 0.393641 -0.124170
C 3.333466 -0.385394 -0.336319
C 2.866908 2.781372 -0.594614
C 1.994104 -2.328802 0.235006
H -1.594391 1.092576 1.843842
H -2.037943 1.745144 -1.082126
H -3.579548 0.015104 -1.722688
H -3.445218 -1.816039 0.577693
H -1.257900 -1.439571 -1.639861
H -2.752799 -2.449146 -1.825770
H -2.887630 3.069211 0.523499
H -4.794480 0.770549 0.676642
H -0.141733 -2.031444 0.659613
H 2.561323 3.341331 -1.499716
H 3.842830 2.285425 -0.793563
H 3.003021 3.512026 0.226869
H -0.935576 -3.687707 -1.001192
H 2.730024 -4.246838 0.232547
H 1.238681 -4.099346 1.022102


%chk=000189924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189924

0 1
S -0.239798 3.605744 0.204289
O -1.690563 -0.791743 0.908723
O -3.100292 2.317861 -0.269824
O -4.573616 0.352183 0.599017
O -1.416121 -3.174026 -0.423367
O 4.537498 0.240197 -0.498004
N -0.044725 0.793083 0.277502
N 1.901766 1.841158 -0.071659
N 0.864579 -1.558496 0.262422
N 3.261080 -1.705414 -0.093075
N 1.973187 -3.636426 0.254508
C -1.474002 0.627664 0.640852
C -2.470966 1.035990 -0.492318
C -3.589228 -0.045071 -0.392350
C -2.852580 -1.296333 0.112960
C 0.952649 -0.183411 0.183730
C -2.349709 -2.196071 -1.022701
C 0.551472 2.068977 0.129021
C 2.170986 0.454550 -0.043097
C 3.416628 -0.299606 -0.236482
C 2.894907 2.908954 -0.272375
C 2.073395 -2.260477 0.137078
H -1.669253 1.221279 1.554367
H -1.955244 0.992218 -1.472832
H -4.071789 -0.208233 -1.378371
H -3.480132 -1.866007 0.816341
H -1.827992 -1.603741 -1.803615
H -3.214930 -2.715930 -1.479474
H -2.359826 2.994636 -0.124206
H -4.574278 1.352658 0.594776
H -0.050862 -2.042214 0.318203
H 2.587578 3.544588 -1.119861
H 3.864697 2.428037 -0.473262
H 2.955852 3.538639 0.631487
H -1.151910 -3.838124 -1.107801
H 2.847338 -4.153601 0.188863
H 1.154406 -4.077791 0.667933


