%chk=000272399.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272399

0 1
S -2.820072 -0.158759 1.007868
S -2.756866 0.097121 -2.021743
O 2.617701 -3.004030 -0.514865
O -4.133207 1.559602 -0.497468
O 3.563754 3.564625 0.181526
O 4.870960 1.915852 -0.324323
N 3.783783 2.383751 -0.034193
C -0.469072 -1.422517 0.303316
C 0.468348 -0.273061 0.272225
C 1.772800 -0.768172 -0.052908
C 0.271064 -2.609688 -0.001614
C 1.715866 -2.260616 -0.240978
C -1.824367 -1.531564 0.552796
C 0.272494 1.080114 0.494292
C 2.860958 0.069527 -0.160568
C -0.332028 -3.849725 -0.059682
C 2.641125 1.449367 0.068526
C -2.454861 -2.794287 0.490282
C 1.374908 1.948663 0.387313
C -1.718891 -3.935139 0.193239
C -3.285532 0.553076 -0.561340
C -4.696330 2.035641 0.788666
C -5.612954 3.153371 0.345119
H -0.707697 1.487355 0.744234
H 3.861887 -0.303456 -0.412731
H 0.248453 -4.744091 -0.299220
H -3.530800 -2.872485 0.671491
H 1.243252 3.026039 0.553672
H -2.211955 -4.907061 0.145111
H -5.236117 1.195044 1.258350
H -3.861034 2.386792 1.418169
H -6.115647 3.621604 1.200790
H -5.062889 3.938550 -0.195237
H -6.389035 2.790156 -0.345614


%chk=000272399-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272399

0 1
S -2.878464 -0.126702 1.055047
S -2.703220 0.060911 -2.102732
O 2.674240 -3.057564 -0.536621
O -4.210693 1.627478 -0.567684
O 3.652408 3.615176 0.182055
O 5.016216 1.860105 -0.335826
N 3.864183 2.359567 -0.036296
C -0.441095 -1.436973 0.306252
C 0.505776 -0.285920 0.271980
C 1.806829 -0.783829 -0.055263
C 0.292532 -2.626667 -0.004435
C 1.733546 -2.273440 -0.243998
C -1.822005 -1.551237 0.565993
C 0.324355 1.094445 0.492440
C 2.922709 0.050337 -0.166142
C -0.306112 -3.892428 -0.058679
C 2.711908 1.431138 0.064644
C -2.438619 -2.829924 0.519038
C 1.440480 1.956739 0.388589
C -1.693949 -3.990372 0.208403
C -3.319544 0.589259 -0.642774
C -4.824198 2.080584 0.732705
C -5.765325 3.224316 0.377436
H -0.657021 1.501102 0.743967
H 3.914365 -0.334640 -0.418368
H 0.296141 -4.773258 -0.302906
H -3.511550 -2.905994 0.720737
H 1.343462 3.033460 0.551775
H -2.197883 -4.961288 0.174156
H -5.355879 1.220419 1.180053
H -4.009586 2.404313 1.407553
H -6.252485 3.600652 1.295118
H -5.214474 4.056416 -0.091581
H -6.549048 2.885417 -0.320134


