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	hartrees
Energy at 0K	-56.510042
Energy at 298.15K	-56.515181
HF Energy	-56.510042
Nuclear repulsion energy	11.846817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3482	6.50
2	A'	3466	3431	51.75
3	A'	3396	3362	4.43
4	A'	3329	3295	142.78
5	A'	1621	1605	14.87
6	A'	1610	1594	14.53
7	A'	1050	1040	94.84
8	A'	1036	1025	157.99
9	A'	379	376	48.41
10	A'	135	133	20.20
11	A'	94	93	62.32
12	A"	3520	3485	5.49
13	A"	3513	3478	0.81
14	A"	1642	1626	8.33
15	A"	1618	1602	19.34
16	A"	257	255	35.72
17	A"	121	120	37.75
18	A"	23	23	13.32

Atom	x (Å)	y (Å)	z (Å)
H1	0.159	0.686	0.000
N2	-0.034	1.696	0.000
N3	-0.034	-1.567	0.000
H4	0.439	2.088	0.816
H5	0.439	2.088	-0.816
H6	-1.056	-1.552	0.000
H7	0.250	-2.107	-0.819
H8	0.250	-2.107	0.819

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0281	2.2617	1.6457	1.6457	2.5474	2.9128	2.9128
N2	1.0281		3.2631	1.0217	1.0217	3.4053	3.9011	3.9011
N3	2.2617	3.2631		3.7745	3.7745	1.0218	1.0215	1.0215
H4	1.6457	1.0217	3.7745		1.6328	4.0189	4.5065	4.1994
H5	1.6457	1.0217	3.7745	1.6328		4.0189	4.1994	4.5065
H6	2.5474	3.4053	1.0218	4.0189	4.0189		1.6383	1.6383
H7	2.9128	3.9011	1.0215	4.5065	4.1994	1.6383		1.6378
H8	2.9128	3.9011	1.0215	4.1994	4.5065	1.6383	1.6378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.801	H1	N2	H5	106.801
H1	H3	N6	94.094	H1	H3	H7	120.221
H1	H3	H8	120.221	N2	H1	H3	164.222
H4	N2	H5	106.077	N6	H3	H7	106.604
N6	H3	H8	106.604	H7	H3	H8	106.576

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

using model chemistry: PBEPBE_cp_opt/6-311+G(3df,2pd)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	0.877	-2.263	0.000	2.427
CHELPG
AIM
ESP

	x	y	z
x	2.261	0.128	0.000
y	0.128	1.960	0.000
z	0.000	0.000	1.908

<r²>	70.798
(<r²>)^1/2	8.414

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

using model chemistry: PBEPBE_cp_opt/6-311+G(3df,2pd)

States and conformations

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