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	hartrees
Energy at 0K	-112.473163
Energy at 298.15K	-112.479332
HF Energy	-112.473163
Counterpoise corrected energy	-56.229115
CP Energy at 298.15K	-56.234702
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	41.570526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3502	3379	0.00
2	A_g	3339	3222	0.00
3	A_g	1749	1688	0.00
4	A_g	1016	981	0.00
5	A_g	609	588	0.00
6	A_g	233	224	0.00
7	A_u	3531	3407	2.21
8	A_u	1785	1722	30.02
9	A_u	364	351	90.16
10	A_u	170	164	42.53
11	B_g	3530	3406	0.00
12	B_g	1770	1708	0.00
13	B_g	247	238	0.00
14	B_u	3505	3382	50.95
15	B_u	3357	3239	104.28
16	B_u	1716	1656	14.85
17	B_u	851	821	581.58
18	B_u	192	185	417.38

Atom	x (Å)	y (Å)	z (Å)
H1	0.639	0.649	0.000
N2	0.000	1.451	0.000
N3	0.000	-1.451	0.000
H4	0.119	2.023	0.839
H5	0.119	2.023	-0.839
H6	-0.639	-0.649	0.000
H7	-0.119	-2.023	-0.839
H8	-0.119	-2.023	0.839

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0258	2.1950	1.6921	1.6921	1.8213	2.9012	2.9012
N2	1.0258		2.9023	1.0225	1.0225	2.1950	3.5760	3.5760
N3	2.1950	2.9023		3.5760	3.5760	1.0258	1.0225	1.0225
H4	1.6921	1.0225	3.5760		1.6784	2.9012	4.3867	4.0529
H5	1.6921	1.0225	3.5760	1.6784		2.9012	4.0529	4.3867
H6	1.8213	2.1950	1.0258	2.9012	2.9012		1.6921	1.6921
H7	2.9012	3.5760	1.0225	4.3867	4.0529	1.6921		1.6784
H8	2.9012	3.5760	1.0225	4.0529	4.3867	1.6921	1.6784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	111.398	H1	N2	H5	111.398
H1	H3	N6	55.465	H1	H3	H7	124.677
H1	H3	H8	124.677	N2	H1	H3	124.535
H4	N2	H5	110.324	N6	H3	H7	111.398
N6	H3	H8	111.398	H7	H3	H8	110.324

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

using model chemistry: B3LYP/3-21G

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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Number	Element	Mulliken
1	H	0.288
2	N	-0.799
3	N	-0.799
4	H	0.255
5	H	0.255
6	H	0.288
7	H	0.255
8	H	0.255

	x	y	z
x	1.082	-0.171	0.000
y	-0.171	3.340	0.000
z	0.000	0.000	2.461

<r²>	57.946
(<r²>)^1/2	7.612

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

using model chemistry: B3LYP/3-21G

States and conformations

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