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	hartrees
Energy at 0K	-56.547944
Energy at 298.15K	-56.553293
HF Energy	-56.547944
Nuclear repulsion energy	11.876659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3573	3431	0.36
2	A'	3512	3373	35.48
3	A'	3442	3306	0.25
4	A'	3383	3248	110.84
5	A'	1734	1665	8.46
6	A'	1720	1651	16.54
7	A'	1195	1148	148.29
8	A'	1156	1110	169.37
9	A'	412	396	73.49
10	A'	153	147	40.73
11	A'	116	111	71.52
12	A"	3573	3431	0.03
13	A"	3552	3411	4.20
14	A"	1765	1695	14.99
15	A"	1726	1657	18.14
16	A"	301	289	71.80
17	A"	135	130	52.50
18	A"	26	25	16.94

Atom	x (Å)	y (Å)	z (Å)
H1	0.101	0.674	0.000
N2	-0.035	1.691	0.000
N3	-0.035	-1.550	0.000
H4	0.477	2.040	0.810
H5	0.477	2.040	-0.810
H6	-1.055	-1.554	0.000
H7	0.248	-2.093	-0.814
H8	0.248	-2.093	0.814

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0255	2.2281	1.6319	1.6319	2.5107	2.8887	2.8887
N2	1.0255		3.2402	1.0201	1.0201	3.4012	3.8810	3.8810
N3	2.2281	3.2402		3.7157	3.7157	1.0195	1.0193	1.0193
H4	1.6319	1.0201	3.7157		1.6198	3.9904	4.4473	4.1402
H5	1.6319	1.0201	3.7157	1.6198		3.9904	4.1402	4.4473
H6	2.5107	3.4012	1.0195	3.9904	3.9904		1.6283	1.6283
H7	2.8887	3.8810	1.0193	4.4473	4.1402	1.6283		1.6283
H8	2.8887	3.8810	1.0193	4.1402	4.4473	1.6283	1.6283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	105.828	H1	N2	H5	105.828
H1	H3	N6	93.781	H1	H3	H7	121.027
H1	H3	H8	121.027	N2	H1	H3	168.803
H4	N2	H5	105.101	N6	H3	H7	106.002
N6	H3	H8	106.002	H7	H3	H8	106.023

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

using model chemistry: B3LYP_cp_opt/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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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
	1.059	-2.949	0.000	3.134
CHELPG
AIM
ESP

	x	y	z
x	0.911	-0.189	0.000
y	-0.189	1.354	0.000
z	0.000	0.000	1.417

<r²>	69.078
(<r²>)^1/2	8.311

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

using model chemistry: B3LYP_cp_opt/6-31G*

States and conformations

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