benzoquinone scsd model output - Dr. C. J. Kingsbury

SCSD model generated from precomputed using D_2h symmetry, available as benzoquinone

Table 1; Model atom positions

x y z at

0.696 1.3181 -0.0 C

-0.696 1.3181 -0.0 C

-1.4954 -0.0 0.0 C

-0.696 -1.3181 0.0 C

0.696 -1.3181 0.0 C

1.4954 0.0 0.0 C

2.7646 0.0 0.0 O

-2.7646 -0.0 0.0 O

x	y	z	at
0.696	1.3181	-0.0	C
-0.696	1.3181	-0.0	C
-1.4954	-0.0	0.0	C
-0.696	-1.3181	0.0	C
0.696	-1.3181	0.0	C
1.4954	0.0	0.0	C
2.7646	0.0	0.0	O
-2.7646	-0.0	0.0	O