Point Group D28d

Results for Point Group D_28d

**Characters of representations for molecular motions**
Motion	E	2S₅₆	2C₂₈	2(S₅₆)³	2C₁₄	2(S₅₆)⁵	2(C₂₈)³	2S₈	2C₇	2(S₅₆)⁹	2(C₂₈)⁵	2(S₅₆)¹¹	2(C₁₄)³	2(S₅₆)¹³	2C₄	2(S₅₆)¹⁵	2(C₇)²	2(S₅₆)¹⁷	2(C₂₈)⁹	2(S₅₆)¹⁹	2(C₁₄)⁵	2(S₈)³	2(C₂₈)¹¹	2(S₅₆)²³	2(C₇)³	2(S₅₆)²⁵	2(C₂₈)¹³	2(S₅₆)²⁷	C₂	28C'₂	28σ_d
Cartesian 3N	0	0.000	0.000	0.000	0.000	0.000	0.000	0.000	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	0.000	0.000	0.000	0.000	0.000	0.000	0.000	0	0	0
Translation (x,y,z)	3	0.987	2.950	0.888	2.802	0.693	2.564	0.414	2.247	0.064	1.868	-0.339	1.445	-0.776	1	-1.224	0.555	-1.661	0.132	-2.064	-0.247	-2.414	-0.564	-2.693	-0.802	-2.888	-0.950	-2.987	-1	-1	1
Rotation (R_x,R_y,R_z)	3	-0.987	2.950	-0.888	2.802	-0.693	2.564	-0.414	2.247	-0.064	1.868	0.339	1.445	0.776	1	1.224	0.555	1.661	0.132	2.064	-0.247	2.414	-0.564	2.693	-0.802	2.888	-0.950	2.987	-1	-1	-1
Vibration	4	-9.862	3.554	-8.791	2.296	-6.816	0.454	-4.243	-1.643	-1.457	-3.626	1.146	-5.159	3.228	-6	4.571	-6.049	5.109	-5.362	4.928	-4.137	4.243	-2.674	3.345	-1.308	2.536	-0.346	2.063	0	2	0

**Decomposition to irreducible representations**
Motion	A₁	A₂	B₁	B₂	E₁	E₂	E₃	E₄	E₅	E₆	E₇	E₈	E₉	E₁₀	E₁₁	E₁₂	E₁₃	E₁₄	E₁₅	E₁₆	E₁₇	E₁₈	E₁₉	E₂₀	E₂₁	E₂₂	E₂₃	E₂₄	E₂₅	E₂₆	E₂₇	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	1	1	2
Translation (x,y,z)	0	0	0	1	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	0	3
Rotation (R_x,R_y,R_z)	0	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	-1	0	-1	-1	-2
Vibration	0	-1	0	-1	-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	2	2	1

**Molecular parameter**
Number of Atoms (N)	0
Number of internal coordinates	4
Number of independant internal coordinates	0
Number of vibrational modes	1

Force field analysis

**Allowed / forbidden vibronational transitions**
Operator	A₁	A₂	B₁	B₂	E₁	E₂	E₃	E₄	E₅	E₆	E₇	E₈	E₉	E₁₀	E₁₁	E₁₂	E₁₃	E₁₄	E₁₅	E₁₆	E₁₇	E₁₈	E₁₉	E₂₀	E₂₁	E₂₂	E₂₃	E₂₄	E₂₅	E₂₆	E₂₇	Total
Linear (IR)	0	-1	0	-1	-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	2	2	-2 / 3
Quadratic (Raman)	0	-1	0	-1	-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	2	2	2 / -1
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	2	- - - -	0 / 1

Characters of force fields
(Symmetric powers of vibration representation)
Force field	E	2S₅₆	2C₂₈	2(S₅₆)³	2C₁₄	2(S₅₆)⁵	2(C₂₈)³	2S₈	2C₇	2(S₅₆)⁹	2(C₂₈)⁵	2(S₅₆)¹¹	2(C₁₄)³	2(S₅₆)¹³	2C₄	2(S₅₆)¹⁵	2(C₇)²	2(S₅₆)¹⁷	2(C₂₈)⁹	2(S₅₆)¹⁹	2(C₁₄)⁵	2(S₈)³	2(C₂₈)¹¹	2(S₅₆)²³	2(C₇)³	2(S₅₆)²⁵	2(C₂₈)¹³	2(S₅₆)²⁷	C₂	28C'₂	28σ_d
linear	4	-9.862	3.554	-8.791	2.296	-6.816	0.454	-4.243	-1.643	-1.457	-3.626	1.146	-5.159	3.228	-6	4.571	-6.049	5.109	-5.362	4.928	-4.137	4.243	-2.674	3.345	-1.308	2.536	-0.346	2.063	0	2	0
quadratic	10	50.406	7.462	38.864	1.814	21.415	-2.476	6.000	-1.675	-1.620	4.506	-0.681	12.653	5.037	18	10.276	17.641	11.714	12.306	9.460	5.533	6.000	0.995	3.781	0.034	3.442	1.208	3.904	2	4	2
cubic	20	-180.314	11.711	-115.696	-1.589	-38.892	-2.942	1.414	3.794	4.077	-0.561	-0.166	-20.888	6.750	-38	15.514	-33.479	13.124	-13.414	3.445	1.477	-1.414	2.502	1.248	-1.315	4.936	-1.295	5.973	0	6	0
quartic	35	511.594	14.680	260.580	-6.130	38.033	1.925	-15.000	1.184	-1.099	-5.350	0.076	27.726	9.708	67	18.725	46.934	-1.062	-1.022	-21.621	-12.596	-15.000	-0.859	-0.719	0.882	5.354	0.626	8.430	3	9	3
quintic	56	-1.231.736	14.595	-469.970	-7.769	2.087	5.678	16.971	-5.321	-3.286	8.510	-3.504	-31.458	12.138	-108	21.486	-52.093	-28.930	26.893	-46.717	11.227	-16.971	-1.434	-3.471	1.414	4.585	-2.243	11.319	0	12	0
sextic	84	2.622.318	10.096	695.343	-3.558	-72.693	1.228	0.000	1.184	4.613	-5.857	-2.698	28.958	12.416	164	25.494	46.934	-47.990	-40.907	-26.445	7.600	-0.000	-2.625	-8.394	0.882	3.908	0.065	14.127	4	16	4

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	A₁	A₂	B₁	B₂	E₁	E₂	E₃	E₄	E₅	E₆	E₇	E₈	E₉	E₁₀	E₁₁	E₁₂	E₁₃	E₁₄	E₁₅	E₁₆	E₁₇	E₁₈	E₁₉	E₂₀	E₂₁	E₂₂	E₂₃	E₂₄	E₂₅	E₂₆	E₂₇
linear

**Characters of reducible representation**
E	2S₅₆	2C₂₈	2(S₅₆)³	2C₁₄	2(S₅₆)⁵	2(C₂₈)³	2S₈	2C₇	2(S₅₆)⁹	2(C₂₈)⁵	2(S₅₆)¹¹	2(C₁₄)³	2(S₅₆)¹³	2C₄	2(S₅₆)¹⁵	2(C₇)²	2(S₅₆)¹⁷	2(C₂₈)⁹	2(S₅₆)¹⁹	2(C₁₄)⁵	2(S₈)³	2(C₂₈)¹¹	2(S₅₆)²³	2(C₇)³	2(S₅₆)²⁵	2(C₂₈)¹³	2(S₅₆)²⁷	C₂	28C'₂	28σ_d
0	-9.862	3.554	-8.791	2.296	-6.816	0.454	-4.243	-1.643	-1.457	-3.626	1.146	-5.159	3.228	-6	4.571	-6.049	5.109	-5.362	4.928	-4.137	4.243	-2.674	3.345	-1.308	2.536	-0.346	2.063	0	2	0