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	hartrees
Energy at 0K	-113.033862
Energy at 298.15K	-113.039350
HF Energy	-113.033862
Nuclear repulsion energy	40.520984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3614	3431	0.00
2	A_g	3477	3301	0.00
3	A_g	1737	1649	0.00
4	A_g	1171	1112	0.00
5	A_g	482	457	0.00
6	A_g	138	131	0.00
7	A_u	3628	3444	0.09
8	A_u	1752	1664	34.15
9	A_u	259	246	123.41
10	A_u	95	90	34.02
11	B_g	3627	3443	0.00
12	B_g	1740	1652	0.00
13	B_g	126	120	0.00
14	B_u	3616	3432	24.56
15	B_u	3482	3305	21.30
16	B_u	1711	1624	19.05
17	B_u	1148	1090	370.31
18	B_u	143	135	319.01

Atom	x (Å)	y (Å)	z (Å)
H1	0.672	0.793	0.000
N2	0.000	1.556	0.000
N3	0.000	-1.556	0.000
H4	0.214	2.128	0.811
H5	0.214	2.128	-0.811
H6	-0.672	-0.793	0.000
H7	-0.214	-2.128	-0.811
H8	-0.214	-2.128	0.811

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0169	2.4439	1.6275	1.6275	2.0801	3.1590	3.1590
N2	1.0169		3.1124	1.0152	1.0152	2.4439	3.7786	3.7786
N3	2.4439	3.1124		3.7786	3.7786	1.0169	1.0152	1.0152
H4	1.6275	1.0152	3.7786		1.6217	3.1590	4.5749	4.2778
H5	1.6275	1.0152	3.7786	1.6217		3.1590	4.2778	4.5749
H6	2.0801	2.4439	1.0169	3.1590	3.1590		1.6275	1.6275
H7	3.1590	3.7786	1.0152	4.5749	4.2778	1.6275		1.6217
H8	3.1590	3.7786	1.0152	4.2778	4.5749	1.6275	1.6217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.434	H1	N2	H5	106.434
H1	H3	N6	57.369	H1	H3	H7	126.852
H1	H3	H8	126.852	N2	H1	H3	122.631
H4	N2	H5	106.021	N6	H3	H7	106.434
N6	H3	H8	106.434	H7	H3	H8	106.021

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

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	H	0.338
2	N	-0.952
3	N	-0.952
4	H	0.307
5	H	0.307
6	H	0.338
7	H	0.307
8	H	0.307

	x	y	z
x	1.780	-0.057	0.000
y	-0.057	3.359	0.000
z	0.000	0.000	2.723

<r²>	64.774
(<r²>)^1/2	8.048

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

using model chemistry: B1B95/6-31G*

States and conformations

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