SCSD model generated from precomputed using D2h symmetry, available as norcorrole

Table 1; Model atom positions

xyzat
2.5656-0.7374-0.0C
-1.2572-2.57240.0C
-0.0-3.25670.0C
1.2572-2.5724-0.0C
3.4342-1.8641-0.0C
2.6364-2.9932-0.0C
-2.6364-2.99320.0C
-2.5656-0.73740.0C
-3.4342-1.86410.0C
-2.56560.73740.0C
1.25722.5724-0.0C
0.03.25670.0C
-1.25722.57240.0C
-3.43421.86410.0C
-2.63642.99320.0C
2.63642.9932-0.0C
2.56560.7374-0.0C
3.43421.8641-0.0C
1.3016-1.2098-0.0N
-1.3016-1.20980.0N
-1.30161.20980.0N
1.30161.2098-0.0N