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	σh	2S29	2(S29)27	2(S29)3	2(S29)25	2(S29)5	2(S29)23	2(S29)7	2(S29)21	2(S29)9	2(S29)19	2(S29)11	2(S29)17	2(S29)13	2(S29)15	29σv
Cartesian 3N	2	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	1	0.953	0.815	0.592	0.295	-0.063	-0.465	-0.892	-1.324	-1.740	-2.122	-2.452	-2.714	-2.895	-2.988	1
Rotation (Rx,Ry,Rz)	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	-1	-0.953	-0.815	-0.592	-0.295	0.063	0.465	0.892	1.324	1.740	2.122	2.452	2.714	2.895	2.988	-1
Vibration	-2	-8.810	-5.414	-2.595	-8.566	-0.689	-3.717	-4.461	2.554	-3.947	1.315	2.778	-2.363	5.421	0.496	2	-4	2.904	-0.217	-2.590	3.977	-3.184	0.647	2.245	-3.906	3.427	-1.070	-1.874	3.791	-3.630	1.481	0

Decomposition to irreducible representations

Motion	A'1	A'2	E'1	E'2	E'3	E'4	E'5	E'6	E'7	E'8	E'9	E'10	E'11	E'12	E'13	E'14	A''1	A''2	E''1	E''2	E''3	E''4	E''5	E''6	E''7	E''8	E''9	E''10	E''11	E''12	E''13	E''14	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	1	0	0	0	1
Translation (x,y,z)	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	0	0	0	3
Rotation (Rx,Ry,Rz)	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	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	2	0	0	0	-2

Molecular parameter

Number of Atoms (N)	0
Number of internal coordinates	-2
Number of independant internal coordinates	0
Number of vibrational modes	-2

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Force field analysis

Allowed / forbidden vibronational transitions

Operator	A'1	A'2	E'1	E'2	E'3	E'4	E'5	E'6	E'7	E'8	E'9	E'10	E'11	E'12	E'13	E'14	A''1	A''2	E''1	E''2	E''3	E''4	E''5	E''6	E''7	E''8	E''9	E''10	E''11	E''12	E''13	E''14	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	2	0	0	0	-2 / 0
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	2	0	0	0	-1 / -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	2	- - - -	0	0	0 / 1

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	σh	2S29	2(S29)27	2(S29)3	2(S29)25	2(S29)5	2(S29)23	2(S29)7	2(S29)21	2(S29)9	2(S29)19	2(S29)11	2(S29)17	2(S29)13	2(S29)15	29σv
linear	-2	-8.810	-5.414	-2.595	-8.566	-0.689	-3.717	-4.461	2.554	-3.947	1.315	2.778	-2.363	5.421	0.496	2	-4	2.904	-0.217	-2.590	3.977	-3.184	0.647	2.245	-3.906	3.427	-1.070	-1.874	3.791	-3.630	1.481	0
quadratic	1	36.105	10.371	1.508	37.966	0.895	5.727	10.200	5.971	9.178	-1.109	1.627	2.448	13.396	-4.282	1	7	1.510	-4.260	1.494	9.183	5.728	-0.972	2.767	10.341	7.262	-1.401	-0.475	6.840	5.292	-3.309	-1
cubic	0	-91.000	-4.497	0.595	-116.485	-0.342	-3.243	-15.054	9.467	-17.533	-5.153	-5.480	-2.872	19.955	-0.358	0	-8	-4.642	1.142	3.061	16.821	-6.982	-1.344	1.140	-21.586	11.398	2.876	4.409	8.520	-3.621	-7.191	0
quartic	0	155.147	-10.455	0.182	280.110	-0.719	-3.124	13.004	13.047	27.900	-2.801	-11.444	4.240	19.207	8.706	0	8	-9.435	9.664	-6.180	27.709	5.275	-0.118	-3.412	37.556	13.509	0.530	-3.274	9.351	-0.105	1.930	0
quintic	0	-178.633	8.811	-0.402	-567.402	-1.071	5.787	-0.770	15.335	-37.095	6.526	-4.499	-5.496	9.068	-4.158	0	-8	-6.847	-3.250	3.469	42.587	-0.191	1.476	-7.407	-57.679	11.493	-4.573	-3.789	9.939	3.971	14.801	0
sextic	0	110.520	12.596	-0.676	1.014.986	-1.136	0.201	-16.070	16.046	41.320	9.983	13.609	6.565	-8.728	-10.216	0	8	2.887	-15.724	3.316	61.098	-7.812	0.307	-6.713	79.908	3.506	1.004	7.734	9.837	-7.006	8.658	0

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'1	A'2	E'1	E'2	E'3	E'4	E'5	E'6	E'7	E'8	E'9	E'10	E'11	E'12	E'13	E'14	A''1	A''2	E''1	E''2	E''3	E''4	E''5	E''6	E''7	E''8	E''9	E''10	E''11	E''12	E''13	E''14
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	σh	2S29	2(S29)27	2(S29)3	2(S29)25	2(S29)5	2(S29)23	2(S29)7	2(S29)21	2(S29)9	2(S29)19	2(S29)11	2(S29)17	2(S29)13	2(S29)15	29σv
2	-8.810	-5.414	-2.595	-8.566	-0.689	-3.717	-4.461	2.554	-3.947	1.315	2.778	-2.363	5.421	0.496	2	-4	2.904	-0.217	-2.590	3.977	-3.184	0.647	2.245	-3.906	3.427	-1.070	-1.874	3.791	-3.630	1.481	0