ROA tensors, cartesian derivatives 3 atoms The electric-dipolar electric-dipolar polarizability: Atom/x jx jy jz Alpha(1,J): 1 1 0.0000000 0.0000000 2.4048352 1 2 0.0000000 0.0000000 0.0000000 1 3 -0.5561551 0.0000000 0.0000000 2 1 0.0000000 1.7580320 -1.2024176 2 2 -0.3516591 0.0000000 0.0000000 2 3 0.2780775 0.0000000 0.0000000 3 1 0.0000000 -1.7580320 -1.2024176 3 2 0.3516591 0.0000000 0.0000000 3 3 0.2780775 0.0000000 0.0000000 Alpha(2,J): 1 1 0.0000000 0.0000000 0.0000000 1 2 0.0000000 0.0000000 4.7497916 1 3 0.0000000 5.8466493 0.0000000 2 1 1.7580320 0.0000000 0.0000000 2 2 0.0000000 5.4833465 -2.3748958 2 3 0.0000000 -2.9233247 2.5556583 3 1 -1.7580320 0.0000000 0.0000000 3 2 0.0000000 -5.4833465 -2.3748958 3 3 0.0000000 -2.9233247 -2.5556583 Alpha(3,J): 1 1 2.4048352 0.0000000 0.0000000 1 2 0.0000000 4.7497916 0.0000000 1 3 0.0000000 0.0000000 6.1953840 2 1 -1.2024176 0.0000000 0.0000000 2 2 0.0000000 -2.3748958 0.7773433 2 3 0.0000000 2.5556583 -3.0976920 3 1 -1.2024176 0.0000000 0.0000000 3 2 0.0000000 -2.3748958 -0.7773433 3 3 0.0000000 -2.5556583 -3.0976920 The electric dipole magnetic dipole polarizability: Atom/x jx(Bx) jy(By) jz(Bz) G(1,J): 1 1 0.0000000 0.0000000 0.0000000 1 2 0.0000000 0.0000000 0.0000000 1 3 0.0000000 0.0000000 0.0000000 2 1 0.0000000 0.0000000 0.0000000 2 2 0.0000000 0.0000000 0.0000000 2 3 0.0000000 0.0000000 0.0000000 3 1 0.0000000 0.0000000 0.0000000 3 2 0.0000000 0.0000000 0.0000000 3 3 0.0000000 0.0000000 0.0000000 G(2,J): 1 1 0.0000000 0.0000000 0.0000000 1 2 0.0000000 0.0000000 0.0000000 1 3 0.0000000 0.0000000 0.0000000 2 1 0.0000000 0.0000000 0.0000000 2 2 0.0000000 0.0000000 0.0000000 2 3 0.0000000 0.0000000 0.0000000 3 1 0.0000000 0.0000000 0.0000000 3 2 0.0000000 0.0000000 0.0000000 3 3 0.0000000 0.0000000 0.0000000 G(3,J): 1 1 0.0000000 0.0000000 0.0000000 1 2 0.0000000 0.0000000 0.0000000 1 3 0.0000000 0.0000000 0.0000000 2 1 0.0000000 0.0000000 0.0000000 2 2 0.0000000 0.0000000 0.0000000 2 3 0.0000000 0.0000000 0.0000000 3 1 0.0000000 0.0000000 0.0000000 3 2 0.0000000 0.0000000 0.0000000 3 3 0.0000000 0.0000000 0.0000000 The electric dipole electric quadrupole polarizability: Atom/x kx ky kz A(1,1,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 1 1 1 2 0.0000000 0.0000000 0.0000000 1 2 1 1 1 3 0.0000000 0.0000000 0.0000000 1 3 1 1 2 1 0.0000000 0.0000000 0.0000000 2 1 1 1 2 2 0.0000000 0.0000000 0.0000000 2 2 1 1 2 3 0.0000000 0.0000000 0.0000000 2 3 1 1 3 1 0.0000000 0.0000000 0.0000000 3 1 1 1 3 2 0.0000000 0.0000000 0.0000000 3 2 1 1 3 3 0.0000000 0.0000000 0.0000000 3 3 1 1 A(1,2,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 1 2 1 2 0.0000000 0.0000000 0.0000000 1 2 1 2 1 3 0.0000000 0.0000000 0.0000000 1 3 1 2 2 1 0.0000000 0.0000000 0.0000000 2 1 1 2 2 2 0.0000000 0.0000000 0.0000000 2 2 1 2 2 3 0.0000000 0.0000000 0.0000000 2 3 1 2 3 1 0.0000000 0.0000000 0.0000000 3 1 1 2 3 2 0.0000000 0.0000000 0.0000000 3 2 1 2 3 3 0.0000000 0.0000000 0.0000000 3 3 1 2 A(1,3,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 1 3 1 2 0.0000000 0.0000000 0.0000000 1 2 1 3 1 3 0.0000000 0.0000000 0.0000000 1 3 1 3 2 1 0.0000000 0.0000000 0.0000000 2 1 1 3 2 2 0.0000000 0.0000000 0.0000000 2 2 1 3 2 3 0.0000000 0.0000000 0.0000000 2 3 1 3 3 1 0.0000000 0.0000000 0.0000000 3 1 1 3 3 2 0.0000000 0.0000000 0.0000000 3 2 1 3 3 3 0.0000000 0.0000000 0.0000000 3 3 1 3 A(2,1,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 2 1 1 2 0.0000000 0.0000000 0.0000000 1 2 2 1 1 3 0.0000000 0.0000000 0.0000000 1 3 2 1 2 1 0.0000000 0.0000000 0.0000000 2 1 2 1 2 2 0.0000000 0.0000000 0.0000000 2 2 2 1 2 3 0.0000000 0.0000000 0.0000000 2 3 2 1 3 1 0.0000000 0.0000000 0.0000000 3 1 2 1 3 2 0.0000000 0.0000000 0.0000000 3 2 2 1 3 3 0.0000000 0.0000000 0.0000000 3 3 2 1 A(2,2,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 2 2 1 2 0.0000000 0.0000000 0.0000000 1 2 2 2 1 3 0.0000000 0.0000000 0.0000000 1 3 2 2 2 1 0.0000000 0.0000000 0.0000000 2 1 2 2 2 2 0.0000000 0.0000000 0.0000000 2 2 2 2 2 3 0.0000000 0.0000000 0.0000000 2 3 2 2 3 1 0.0000000 0.0000000 0.0000000 3 1 2 2 3 2 0.0000000 0.0000000 0.0000000 3 2 2 2 3 3 0.0000000 0.0000000 0.0000000 3 3 2 2 A(2,3,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 2 3 1 2 0.0000000 0.0000000 0.0000000 1 2 2 3 1 3 0.0000000 0.0000000 0.0000000 1 3 2 3 2 1 0.0000000 0.0000000 0.0000000 2 1 2 3 2 2 0.0000000 0.0000000 0.0000000 2 2 2 3 2 3 0.0000000 0.0000000 0.0000000 2 3 2 3 3 1 0.0000000 0.0000000 0.0000000 3 1 2 3 3 2 0.0000000 0.0000000 0.0000000 3 2 2 3 3 3 0.0000000 0.0000000 0.0000000 3 3 2 3 A(3,1,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 3 1 1 2 0.0000000 0.0000000 0.0000000 1 2 3 1 1 3 0.0000000 0.0000000 0.0000000 1 3 3 1 2 1 0.0000000 0.0000000 0.0000000 2 1 3 1 2 2 0.0000000 0.0000000 0.0000000 2 2 3 1 2 3 0.0000000 0.0000000 0.0000000 2 3 3 1 3 1 0.0000000 0.0000000 0.0000000 3 1 3 1 3 2 0.0000000 0.0000000 0.0000000 3 2 3 1 3 3 0.0000000 0.0000000 0.0000000 3 3 3 1 A(3,2,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 3 2 1 2 0.0000000 0.0000000 0.0000000 1 2 3 2 1 3 0.0000000 0.0000000 0.0000000 1 3 3 2 2 1 0.0000000 0.0000000 0.0000000 2 1 3 2 2 2 0.0000000 0.0000000 0.0000000 2 2 3 2 2 3 0.0000000 0.0000000 0.0000000 2 3 3 2 3 1 0.0000000 0.0000000 0.0000000 3 1 3 2 3 2 0.0000000 0.0000000 0.0000000 3 2 3 2 3 3 0.0000000 0.0000000 0.0000000 3 3 3 2 A(3,3,K): 1 1 0.0000000 0.0000000 0.0000000 1 1 3 3 1 2 0.0000000 0.0000000 0.0000000 1 2 3 3 1 3 0.0000000 0.0000000 0.0000000 1 3 3 3 2 1 0.0000000 0.0000000 0.0000000 2 1 3 3 2 2 0.0000000 0.0000000 0.0000000 2 2 3 3 2 3 0.0000000 0.0000000 0.0000000 2 3 3 3 3 1 0.0000000 0.0000000 0.0000000 3 1 3 3 3 2 0.0000000 0.0000000 0.0000000 3 2 3 3 3 3 0.0000000 0.0000000 0.0000000 3 3 3 3 dummy alpha v: Alpha(1,J): 1 1 0.0000000 0.0000000 2.4048352 1 2 0.0000000 0.0000000 0.0000000 1 3 -0.5561551 0.0000000 0.0000000 2 1 0.0000000 1.7580320 -1.2024176 2 2 -0.3516591 0.0000000 0.0000000 2 3 0.2780775 0.0000000 0.0000000 3 1 0.0000000 -1.7580320 -1.2024176 3 2 0.3516591 0.0000000 0.0000000 3 3 0.2780775 0.0000000 0.0000000 Alpha(2,J): 1 1 0.0000000 0.0000000 0.0000000 1 2 0.0000000 0.0000000 4.7497916 1 3 0.0000000 5.8466493 0.0000000 2 1 1.7580320 0.0000000 0.0000000 2 2 0.0000000 5.4833465 -2.3748958 2 3 0.0000000 -2.9233247 2.5556583 3 1 -1.7580320 0.0000000 0.0000000 3 2 0.0000000 -5.4833465 -2.3748958 3 3 0.0000000 -2.9233247 -2.5556583 Alpha(3,J): 1 1 2.4048352 0.0000000 0.0000000 1 2 0.0000000 4.7497916 0.0000000 1 3 0.0000000 0.0000000 6.1953840 2 1 -1.2024176 0.0000000 0.0000000 2 2 0.0000000 -2.3748958 0.7773433 2 3 0.0000000 2.5556583 -3.0976920 3 1 -1.2024176 0.0000000 0.0000000 3 2 0.0000000 -2.3748958 -0.7773433 3 3 0.0000000 -2.5556583 -3.0976920