Point Group D29d

Results for Point Group D_29d

**Characters of representations for molecular motions**
Motion	E	2C₂₉	2(C₂₉)²	2(C₂₉)³	2(C₂₉)⁴	2(C₂₉)⁵	2(C₂₉)⁶	2(C₂₉)⁷	2(C₂₉)⁸	2(C₂₉)⁹	2(C₂₉)¹⁰	2(C₂₉)¹¹	2(C₂₉)¹²	2(C₂₉)¹³	2(C₂₉)¹⁴	29C'₂	i	2(S₅₈)²⁷	2(S₅₈)²⁵	2(S₅₈)²³	2(S₅₈)²¹	2(S₅₈)¹⁹	2(S₅₈)¹⁷	2(S₅₈)¹⁵	2(S₅₈)¹³	2(S₅₈)¹¹	2(S₅₈)⁹	2(S₅₈)⁷	2(S₅₈)⁵	2(S₅₈)³	2S₅₈	29σ_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	0.000	0	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	0.000	0
Translation (x,y,z)	3	2.953	2.815	2.592	2.295	1.937	1.535	1.108	0.676	0.260	-0.122	-0.452	-0.714	-0.895	-0.988	-1	-3	-2.953	-2.815	-2.592	-2.295	-1.937	-1.535	-1.108	-0.676	-0.260	0.122	0.452	0.714	0.895	0.988	1
Rotation (R_x,R_y,R_z)	3	2.953	2.815	2.592	2.295	1.937	1.535	1.108	0.676	0.260	-0.122	-0.452	-0.714	-0.895	-0.988	-1	3	2.953	2.815	2.592	2.295	1.937	1.535	1.108	0.676	0.260	-0.122	-0.452	-0.714	-0.895	-0.988	-1
Vibration	-6	-5.906	-5.630	-5.184	-4.590	-3.874	-3.070	-2.217	-1.353	-0.519	0.245	0.904	1.427	1.791	1.977	2	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	0.000	0

**Decomposition to irreducible representations**
Motion	A_1g	A_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	E_14g	A_1u	A_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	E_14u	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
Translation (x,y,z)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	0	0	1	1	0	0	0	4
Rotation (R_x,R_y,R_z)	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	-1	-1	0	0	0	0
Vibration	0	-1	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0	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	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	E_14g	A_1u	A_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	E_14u	Total
Linear (IR)	0	-1	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	-2 / -2
Quadratic (Raman)	0	-1	-1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	-1	-1	0	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^* / -1

* Parity Mutual Exclusion Principle

Characters of force fields
(Symmetric powers of vibration representation)
Force field	E	2C₂₉	2(C₂₉)²	2(C₂₉)³	2(C₂₉)⁴	2(C₂₉)⁵	2(C₂₉)⁶	2(C₂₉)⁷	2(C₂₉)⁸	2(C₂₉)⁹	2(C₂₉)¹⁰	2(C₂₉)¹¹	2(C₂₉)¹²	2(C₂₉)¹³	2(C₂₉)¹⁴	29C'₂	i	2(S₅₈)²⁷	2(S₅₈)²⁵	2(S₅₈)²³	2(S₅₈)²¹	2(S₅₈)¹⁹	2(S₅₈)¹⁷	2(S₅₈)¹⁵	2(S₅₈)¹³	2(S₅₈)¹¹	2(S₅₈)⁹	2(S₅₈)⁷	2(S₅₈)⁵	2(S₅₈)³	2S₅₈	29σ_d
linear	-6	-5.906	-5.630	-5.184	-4.590	-3.874	-3.070	-2.217	-1.353	-0.519	0.245	0.904	1.427	1.791	1.977	2	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	0.000	0
quadratic	15	14.628	13.555	11.904	9.856	7.625	5.427	3.445	1.810	0.587	-0.230	-0.700	-0.918	-0.989	-1.000	-1	-3	-2.815	-2.295	-1.535	-0.676	0.122	0.714	0.988	0.895	0.452	-0.260	-1.108	-1.937	-2.592	-2.953	-3
cubic	-20	-19.443	-17.850	-15.439	-12.532	-9.503	-6.713	-4.457	-2.915	-2.135	-2.030	-2.409	-3.019	-3.603	-3.953	-4	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	0.000	0
quartic	15	14.628	13.555	11.904	9.856	7.625	5.427	3.445	1.810	0.587	-0.230	-0.700	-0.918	-0.989	-1.000	-1	3	2.815	2.295	1.535	0.676	-0.122	-0.714	-0.988	-0.895	-0.452	0.260	1.108	1.937	2.592	2.953	3
quintic	-6	-5.906	-5.630	-5.184	-4.590	-3.874	-3.070	-2.217	-1.353	-0.519	0.245	0.904	1.427	1.791	1.977	2	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	0.000	0
sextic	1	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1.000	1	-1	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-1.000	-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	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	E_14g	A_1u	A_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	E_14u
linear

**Characters of reducible representation**
E	2C₂₉	2(C₂₉)²	2(C₂₉)³	2(C₂₉)⁴	2(C₂₉)⁵	2(C₂₉)⁶	2(C₂₉)⁷	2(C₂₉)⁸	2(C₂₉)⁹	2(C₂₉)¹⁰	2(C₂₉)¹¹	2(C₂₉)¹²	2(C₂₉)¹³	2(C₂₉)¹⁴	29C'₂	i	2(S₅₈)²⁷	2(S₅₈)²⁵	2(S₅₈)²³	2(S₅₈)²¹	2(S₅₈)¹⁹	2(S₅₈)¹⁷	2(S₅₈)¹⁵	2(S₅₈)¹³	2(S₅₈)¹¹	2(S₅₈)⁹	2(S₅₈)⁷	2(S₅₈)⁵	2(S₅₈)³	2S₅₈	29σ_d
0	-5.906	-5.630	-5.184	-4.590	-3.874	-3.070	-2.217	-1.353	-0.519	0.245	0.904	1.427	1.791	1.977	2	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	0.000	0