Point Group D28h

Results for Point Group D_28h

**Characters of representations for molecular motions**
Motion	E	2C₂₈	2C₁₄	2(C₂₈)³	2C₇	2(C₂₈)⁵	2(C₁₄)³	2C₄	2(C₇)²	2(C₂₈)⁹	2(C₁₄)⁵	2(C₂₈)¹¹	2(C₇)³	2(C₂₈)¹³	C₂	14C'₂	14C''₂	i	2(S₂₈)¹³	2(S₇)³	2(S₂₈)¹¹	2(S₁₄)⁵	2(S₂₈)⁹	2(S₇)⁵	2S₄	2(S₁₄)³	2(S₂₈)⁵	2S₇	2(S₂₈)³	2S₁₄	2S₂₈	σ_h	14σ_v	14σ_d
Cartesian 3N	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0
Translation (x,y,z)	3	2.950	2.802	2.564	2.247	1.868	1.445	1	0.555	0.132	-0.247	-0.564	-0.802	-0.950	-1	-1	-1	-3	-2.950	-2.802	-2.564	-2.247	-1.868	-1.445	-1	-0.555	-0.132	0.247	0.564	0.802	0.950	1	1	1
Rotation (R_x,R_y,R_z)	3	2.950	2.802	2.564	2.247	1.868	1.445	1	0.555	0.132	-0.247	-0.564	-0.802	-0.950	-1	-1	-1	3	2.950	2.802	2.564	2.247	1.868	1.445	1	0.555	0.132	-0.247	-0.564	-0.802	-0.950	-1	-1	-1
Vibration	-6	-5.900	-5.604	-5.127	-4.494	-3.736	-2.890	-2	-1.110	-0.264	0.494	1.127	1.604	1.900	2	2	2	0	0.000	0.000	-0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0

**Decomposition to irreducible representations**
Motion	A_1g	A_2g	B_1g	B_2g	E_1g	E_2g	E_3g	E_4g	E_5g	E_6g	E_7g	E_8g	E_9g	E_10g	E_11g	E_12g	E_13g	A_1u	A_2u	B_1u	B_2u	E_1u	E_2u	E_3u	E_4u	E_5u	E_6u	E_7u	E_8u	E_9u	E_10u	E_11u	E_12u	E_13u	Total
Cartesian 3N	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Translation (x,y,z)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	1	0	0	0	0	0	1	0	0	1	0	0	0	4
Rotation (R_x,R_y,R_z)	0	1	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	0	0	-1	0	0	0	0
Vibration	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	-4

**Molecular parameter**
Number of Atoms (N)	0
Number of internal coordinates	-6
Number of independant internal coordinates	0
Number of vibrational modes	-4

Force field analysis

**Allowed / forbidden vibronational transitions**
Operator	A_1g	A_2g	B_1g	B_2g	E_1g	E_2g	E_3g	E_4g	E_5g	E_6g	E_7g	E_8g	E_9g	E_10g	E_11g	E_12g	E_13g	A_1u	A_2u	B_1u	B_2u	E_1u	E_2u	E_3u	E_4u	E_5u	E_6u	E_7u	E_8u	E_9u	E_10u	E_11u	E_12u	E_13u	Total
Linear (IR)	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	-2 / -2
Quadratic (Raman)	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	0	0	-1	0	0	0	0	0	0	0	0	0	0	0	0	-1 / -3
IR + Raman	- - - -	-1	0	0	- - - -	- - - -	0	0	0	0	0	0	0	0	0	0	0	0	- - - -	0	0	- - - -	0	0	0	0	- - - -	0	0	0	- - - -	- - - -	0	0	0^* / -1

* Parity Mutual Exclusion Principle

Characters of force fields
(Symmetric powers of vibration representation)
Force field	E	2C₂₈	2C₁₄	2(C₂₈)³	2C₇	2(C₂₈)⁵	2(C₁₄)³	2C₄	2(C₇)²	2(C₂₈)⁹	2(C₁₄)⁵	2(C₂₈)¹¹	2(C₇)³	2(C₂₈)¹³	C₂	14C'₂	14C''₂	i	2(S₂₈)¹³	2(S₇)³	2(S₂₈)¹¹	2(S₁₄)⁵	2(S₂₈)⁹	2(S₇)⁵	2S₄	2(S₁₄)³	2(S₂₈)⁵	2S₇	2(S₂₈)³	2S₁₄	2S₂₈	σ_h	14σ_v	14σ_d
linear	-6	-5.900	-5.604	-5.127	-4.494	-3.736	-2.890	-2	-1.110	-0.264	0.494	1.127	1.604	1.900	2	2	2	0	0.000	0.000	-0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0
quadratic	15	14.601	13.455	11.700	9.543	7.224	4.978	3	1.418	0.282	-0.433	-0.810	-0.961	-0.997	-1	-1	-1	-3	-2.802	-2.247	-1.445	-0.555	0.247	0.802	1	0.802	0.247	-0.555	-1.445	-2.247	-2.802	-3	-3	-3
cubic	-20	-19.403	-17.702	-15.145	-12.098	-8.977	-6.176	-4	-2.616	-2.035	-2.122	-2.635	-3.286	-3.804	-4	-4	-4	0	-0.000	-0.000	0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0
quartic	15	14.601	13.455	11.700	9.543	7.224	4.978	3	1.418	0.282	-0.433	-0.810	-0.961	-0.997	-1	-1	-1	3	2.802	2.247	1.445	0.555	-0.247	-0.802	-1	-0.802	-0.247	0.555	1.445	2.247	2.802	3	3	3
quintic	-6	-5.900	-5.604	-5.127	-4.494	-3.736	-2.890	-2	-1.110	-0.264	0.494	1.127	1.604	1.900	2	2	2	0	0.000	0.000	-0.000	0.000	-0.000	0.000	0	0.000	0.000	-0.000	0.000	0.000	0.000	0	0	0
sextic	1	1.000	1.000	1.000	1.000	1.000	1.000	1	1.000	1.000	1.000	1.000	1.000	1.000	1	1	1	-1	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1	-1	-1

Error: Reduction failed

Reduction to integer numbers for irreducible representations failed.
Error Code: 1

Decomposition to irreducible representations
Column with number of nonvanshing force constants highlighted
Force field	A_1g	A_2g	B_1g	B_2g	E_1g	E_2g	E_3g	E_4g	E_5g	E_6g	E_7g	E_8g	E_9g	E_10g	E_11g	E_12g	E_13g	A_1u	A_2u	B_1u	B_2u	E_1u	E_2u	E_3u	E_4u	E_5u	E_6u	E_7u	E_8u	E_9u	E_10u	E_11u	E_12u	E_13u
linear

**Characters of reducible representation**
E	2C₂₈	2C₁₄	2(C₂₈)³	2C₇	2(C₂₈)⁵	2(C₁₄)³	2C₄	2(C₇)²	2(C₂₈)⁹	2(C₁₄)⁵	2(C₂₈)¹¹	2(C₇)³	2(C₂₈)¹³	C₂	14C'₂	14C''₂	i	2(S₂₈)¹³	2(S₇)³	2(S₂₈)¹¹	2(S₁₄)⁵	2(S₂₈)⁹	2(S₇)⁵	2S₄	2(S₁₄)³	2(S₂₈)⁵	2S₇	2(S₂₈)³	2S₁₄	2S₂₈	σ_h	14σ_v	14σ_d
0	-5.900	-5.604	-5.127	-4.494	-3.736	-2.890	-2	-1.110	-0.264	0.494	1.127	1.604	1.900	2	2	2	0	0.000	0.000	-0.000	0.000	0.000	0.000	0	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0