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	hartrees
Energy at 0K	-113.159854
Energy at 298.15K	-113.165398
HF Energy	-113.159854
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.613074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3568	3449	0.00
2	A_g	3449	3334	0.00
3	A_g	1685	1629	0.00
4	A_g	1104	1068	0.00
5	A_g	485	469	0.00
6	A_g	159	154	0.00
7	A_u	3584	3465	0.02
8	A_u	1704	1648	32.35
9	A_u	255	246	90.84
10	A_u	111	108	27.89
11	B_g	3583	3464	0.00
12	B_g	1692	1636	0.00
13	B_g	148	143	0.00
14	B_u	3567	3448	23.81
15	B_u	3452	3338	28.35
16	B_u	1660	1605	20.12
17	B_u	1079	1043	364.84
18	B_u	118	114	274.96

Atom	x (Å)	y (Å)	z (Å)
H1	0.673	0.783	0.000
N2	0.000	1.546	0.000
N3	0.000	-1.546	0.000
H4	0.196	2.119	0.815
H5	0.196	2.119	-0.815
H6	-0.673	-0.783	0.000
H7	-0.196	-2.119	-0.815
H8	-0.196	-2.119	0.815

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0176	2.4236	1.6363	1.6363	2.0650	3.1365	3.1365
N2	1.0176		3.0910	1.0155	1.0155	2.4236	3.7589	3.7589
N3	2.4236	3.0910		3.7589	3.7589	1.0176	1.0155	1.0155
H4	1.6363	1.0155	3.7589		1.6301	3.1365	4.5570	4.2555
H5	1.6363	1.0155	3.7589	1.6301		3.1365	4.2555	4.5570
H6	2.0650	2.4236	1.0176	3.1365	3.1365		1.6363	1.6363
H7	3.1365	3.7589	1.0155	4.5570	4.2555	1.6363		1.6301
H8	3.1365	3.7589	1.0155	4.2555	4.5570	1.6363	1.6301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	107.186	H1	N2	H5	107.186
H1	H3	N6	57.572	H1	H3	H7	126.569
H1	H3	H8	126.569	N2	H1	H3	122.428
H4	N2	H5	106.765	N6	H3	H7	107.186
N6	H3	H8	107.186	H7	H3	H8	106.765

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

using model chemistry: B3LYP/6-311G**

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	0.203
2	N	-0.581
3	N	-0.581
4	H	0.189
5	H	0.189
6	H	0.203
7	H	0.189
8	H	0.189

	x	y	z
x	2.519	0.119	0.000
y	0.119	3.816	0.000
z	0.000	0.000	2.984

<r²>	64.375
(<r²>)^1/2	8.023

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

using model chemistry: B3LYP/6-311G**

States and conformations

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