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	hartrees
Energy at 0K	-113.179172
Energy at 298.15K	-113.184284
HF Energy	-113.179172
Counterpoise corrected energy	-56.587555
CP Energy at 298.15K	-56.592643
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.485416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3592	3464	8.25
2	A'	3554	3427	59.28
3	A'	3474	3350	2.45
4	A'	3431	3308	92.73
5	A'	1667	1607	15.69
6	A'	1658	1598	15.42
7	A'	1058	1020	102.87
8	A'	1049	1012	185.11
9	A'	372	359	48.13
10	A'	129	125	24.77
11	A'	93	90	56.88
12	A"	3594	3466	7.12
13	A"	3591	3462	1.90
14	A"	1688	1628	10.85
15	A"	1664	1604	18.93
16	A"	251	242	40.10
17	A"	118	113	35.78
18	A"	23	22	14.40

Atom	x (Å)	y (Å)	z (Å)
H1	0.154	0.718	0.000
N2	-0.033	1.718	0.000
N3	-0.033	-1.595	0.000
H4	0.421	2.115	0.814
H5	0.421	2.115	-0.814
H6	-1.046	-1.571	0.000
H7	0.256	-2.121	-0.816
H8	0.256	-2.121	0.816

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0179	2.3198	1.6394	1.6394	2.5839	2.9556	2.9556
N2	1.0179		3.3129	1.0132	1.0132	3.4415	3.9359	3.9359
N3	2.3198	3.3129		3.8252	3.8252	1.0136	1.0133	1.0133
H4	1.6394	1.0132	3.8252		1.6286	4.0499	4.5423	4.2397
H5	1.6394	1.0132	3.8252	1.6286		4.0499	4.2397	4.5423
H6	2.5839	3.4415	1.0136	4.0499	4.0499		1.6327	1.6327
H7	2.9556	3.9359	1.0133	4.5423	4.2397	1.6327		1.6320
H8	2.9556	3.9359	1.0133	4.2397	4.5423	1.6327	1.6320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	107.638	H1	N2	H5	107.638
H1	H3	N6	93.263	H1	H3	H7	119.667
H1	H3	H8	119.667	N2	H1	H3	164.808
H4	N2	H5	106.968	N6	H3	H7	107.322
N6	H3	H8	107.322	H7	H3	H8	107.273

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	H	0.220
2	N	-0.425
3	N	-0.358
4	H	0.104
5	H	0.104
6	H	0.130
7	H	0.112
8	H	0.112

	x	y	z	Total
	0.890	-2.185	0.000	2.359
CHELPG
AIM
ESP

<r²>	72.217
(<r²>)^1/2	8.498

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

using model chemistry: B3LYP/6-311+G(3df,2pd)

States and conformations

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