A. Daniel Boese and Jan M.L. Martin
Below are given, for each molecule (in CADPAC/SPECTRO format) the geometry in Cartesian coordinates, the quadratic force field in Cartesian coordinates, the cubic force field in normal coordinates, and the (diagonal and semidiagonal) quartic force field in normal coordinates. In addition, we provide the Lxm (mass-weighted normal coordinate) matrix and the Zeta (Coriolis coupling constant) matrix, as one or the other is required to uniquely define the phases of the normal modes.
| benzene | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| pyridine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| pyridazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| pyrimidine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| pyrazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| 1,2,3-triazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| 1,2,4-triazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| 1,3,5-triazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
| s-tetrazine | geom | fcm2 | fcmq3 | fcmq4 | lxmzeta |
E.O.E. Comments and questions to comartin@wicc.weizmann.ac.il.