%chk=000218173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218173

0 1
S -2.626719 -0.941398 0.468840
S 2.456668 -1.324207 0.083017
S 4.060395 -0.313399 -0.712746
O 3.351788 0.203895 -2.133219
O 4.276718 0.860922 0.074551
O 5.087467 -1.213092 -1.112308
N -0.286579 0.538568 0.609626
N 1.595760 2.087751 0.499016
C -2.558007 0.719652 -0.077648
C -1.273833 1.459245 0.021943
C -4.328189 -1.077935 0.050037
C -3.769561 1.124265 -0.546064
C -4.782071 0.094902 -0.472730
C 0.968111 0.839572 0.752971
C 1.849806 -0.209497 1.383516
C -5.031209 -2.347116 0.290320
H -0.967280 1.822236 -0.990044
H -1.406609 2.368263 0.662514
H -3.992394 2.104476 -0.939473
H -5.791536 0.275515 -0.809634
H 2.675324 0.230422 1.983094
H 1.259121 -0.847286 2.088789
H -5.032458 -2.618358 1.358316
H -6.083767 -2.301552 -0.029284
H -4.566626 -3.183408 -0.256223
H 1.199547 2.660908 -0.232549
H 2.616716 2.112227 0.489557
H 3.809016 -0.017471 -2.965284


%chk=000218173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218173

0 1
S -2.969957 -1.203669 0.418721
S 2.797972 -1.400531 -0.360367
S 4.791715 0.120669 -0.461150
O 4.786360 0.366241 -2.307191
O 4.299561 1.516366 0.235141
O 6.264298 -0.420253 -0.061312
N -0.367210 0.169961 0.362633
N 1.430902 1.748653 -0.040625
C -2.759904 0.523000 -0.058542
C -1.373743 1.100115 -0.180812
C -4.773933 -1.038003 0.265116
C -3.986391 1.129526 -0.299885
C -5.116322 0.253366 -0.117355
C 0.896070 0.552097 0.397101
C 1.891837 -0.424561 0.977933
C -5.667581 -2.210855 0.553867
H -1.164987 1.303374 -1.259908
H -1.354182 2.091906 0.330835
H -4.080599 2.177114 -0.599843
H -6.153376 0.568800 -0.260159
H 2.648052 0.075094 1.609387
H 1.357263 -1.181878 1.575516
H -5.547204 -2.576126 1.591372
H -6.724300 -1.922294 0.417905
H -5.460235 -3.063924 -0.119604
H 0.852755 2.446862 -0.504615
H 2.450167 1.900228 0.013887
H 5.742572 0.506824 -2.579141


