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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D2H	¹A_G
1	2	yes	C2H	¹A_G
1	3	no	C2V	¹A₁

	hartrees
Energy at 0K	-580.385529
Energy at 298.15K
HF Energy	-580.140960
Nuclear repulsion energy	78.862923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	2319	2202	0.00	373.89	0.13	0.23
2	A_g	961	912	0.00	10.97	0.41	0.58
3	A_g	599	568	0.00	73.53	0.21	0.34
4	A_u	560	532	0.00	0.00	0.00	0.00
5	B_1u	2312	2195	63.34	0.00	0.00	0.00
6	B_1u	878	833	117.32	0.00	0.00	0.00
7	B_2g	171i	162i	0.00	28.78	0.75	0.86
8	B_2u	2346	2228	98.81	0.00	0.00	0.00
9	B_2u	348	330	21.54	0.00	0.75	0.86
10	B_3g	2338	2220	0.00	186.26	0.75	0.86
11	B_3g	599	569	0.00	4.40	0.75	0.86
12	B_3u	545	518	2.30	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Si1	0.000	1.070
Si2	0.000	-1.070
H3	1.246	1.853
H4	-1.246	1.853
H5	1.246	-1.853
H6	-1.246	-1.853

	Si1	Si2	H3	H4	H5	H6
Si1		2.1409	1.4711	1.4711	3.1778	3.1778
Si2	2.1409		3.1778	3.1778	1.4711	1.4711
H3	1.4711	3.1778		2.4913	3.7062	4.4657
H4	1.4711	3.1778	2.4913		4.4657	3.7062
H5	3.1778	1.4711	3.7062	4.4657		2.4913
H6	3.1778	1.4711	4.4657	3.7062	2.4913

All results from a given calculation for Si₂H₄ (Disilene)

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 (D2H)

Conformer 2 (C2H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	Si2	H5	122.142	Si1	Si2	H6	122.142
Si2	Si1	H3	122.142	Si2	Si1	H4	122.142
H3	Si1	H4	115.717	H5	Si2	H6	115.717

	hartrees
Energy at 0K	-580.385821
Energy at 298.15K
HF Energy	-580.140162
Nuclear repulsion energy	78.521668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	2304	2188	0.00	381.88	0.13	0.23
2	A_g	965	916	0.00	14.95	0.46	0.63
3	A_g	587	557	0.00	61.42	0.24	0.38
4	A_g	232	220	0.00	19.96	0.40	0.57
5	A_u	2331	2213	114.23	0.00	0.46	0.63
6	A_u	549	522	0.01	0.00	0.55	0.71
7	A_u	341	324	20.36	0.00	0.49	0.65
8	B_g	2322	2205	0.00	206.92	0.75	0.86
9	B_g	608	577	0.00	5.90	0.75	0.86
10	B_u	2298	2182	84.06	0.00	0.31	0.47
11	B_u	909	863	158.55	0.00	0.55	0.71
12	B_u	494	469	16.67	0.00	0.00	0.00

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	1.078	0.000
Si2	0.000	-1.078	0.000
H3	0.299	1.823	1.236
H4	0.299	1.823	-1.236
H5	-0.299	-1.823	1.236
H6	-0.299	-1.823	-1.236

	Si1	Si2	H3	H4	H5	H6
Si1		2.1560	1.4739	1.4739	3.1673	3.1673
Si2	2.1560		3.1673	3.1673	1.4739	1.4739
H3	1.4739	3.1673		2.4725	3.6941	4.4452
H4	1.4739	3.1673	2.4725		4.4452	3.6941
H5	3.1673	1.4739	3.6941	4.4452		2.4725
H6	3.1673	1.4739	4.4452	3.6941	2.4725

All results from a given calculation for Si2H4 (Disilene)

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 (D2H)

Conformer 2 (C2H)

All results from a given calculation for Si₂H₄ (Disilene)