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	hartrees
Energy at 0K	-113.100553
Energy at 298.15K	-113.093226
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3560	3410	0.00
2	A_g	3430	3286	0.00
3	A_g	1734	1661	0.00
4	A_g	1172	1123	0.00
5	A_g	498	477	0.00
6	A_g	158	151	0.00
7	A_u	3569	3419	0.42
8	A_u	1750	1676	29.62
9	A_u	265	254	120.92
10	A_u	111	107	31.34
11	B_g	3569	3419	0.00
12	B_g	1737	1664	0.00
13	B_g	145	139	0.00
14	B_u	3559	3409	20.95
15	B_u	3432	3288	28.09
16	B_u	1706	1634	15.39
17	B_u	1144	1096	346.03
18	B_u	102	97	325.45

Atom	x (Å)	y (Å)	z (Å)
H1	0.666	0.776	0.000
N2	0.000	1.550	0.000
N3	0.000	-1.550	0.000
H4	0.223	2.122	0.814
H5	0.223	2.122	-0.814
H6	-0.666	-0.776	0.000
H7	-0.223	-2.122	-0.814
H8	-0.223	-2.122	0.814

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0207	2.4198	1.6337	1.6337	2.0450	3.1388	3.1388
N2	1.0207		3.1004	1.0194	1.0194	2.4198	3.7679	3.7679
N3	2.4198	3.1004		3.7679	3.7679	1.0207	1.0194	1.0194
H4	1.6337	1.0194	3.7679		1.6278	3.1388	4.5673	4.2673
H5	1.6337	1.0194	3.7679	1.6278		3.1388	4.2673	4.5673
H6	2.0450	2.4198	1.0207	3.1388	3.1388		1.6337	1.6337
H7	3.1388	3.7679	1.0194	4.5673	4.2673	1.6337		1.6278
H8	3.1388	3.7679	1.0194	4.2673	4.5673	1.6337	1.6278

Number	Element	Mulliken
1	H	0.327
2	N	-0.917
3	N	-0.917
4	H	0.295
5	H	0.295
6	H	0.327
7	H	0.295
8	H	0.295

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	64.468
(<r²>)^1/2	8.029

All results from a given calculation for NH3NH3 (Ammonia Dimer)

using model chemistry: B3LYPultrafine_cp/6-31G*

States and conformations

All results from a given calculation for NH₃NH₃ (Ammonia Dimer)