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	hartrees
Energy at 0K	-56.200907
Energy at 298.15K	-56.205990
HF Energy	-56.200907
Nuclear repulsion energy	12.085110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3854	3484	11.57
2	A'	3841	3473	49.43
3	A'	3711	3355	0.23
4	A'	3698	3344	25.09
5	A'	1805	1632	14.33
6	A'	1797	1625	40.24
7	A'	1127	1019	126.73
8	A'	1116	1009	411.10
9	A'	374	338	42.13
10	A'	118	107	49.05
11	A'	69	63	98.87
12	A"	3857	3487	8.41
13	A"	3855	3485	2.99
14	A"	1823	1649	36.83
15	A"	1802	1630	21.70
16	A"	230	208	90.04
17	A"	105	95	46.60
18	A"	52	47	6.10

Atom	x (Å)	y (Å)	z (Å)
H1	0.247	0.800	0.000
N2	-0.022	1.766	0.000
N3	-0.022	-1.671	0.000
H4	0.358	2.210	0.811
H5	0.358	2.210	-0.811
H6	-0.995	-1.436	0.000
H7	0.173	-2.222	-0.812
H8	0.173	-2.222	0.812

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0023	2.4865	1.6298	1.6298	2.5580	3.1301	3.1301
N2	1.0023		3.4372	1.0000	1.0000	3.3459	4.0739	4.0739
N3	2.4865	3.4372		3.9831	3.9831	1.0008	1.0002	1.0002
H4	1.6298	1.0000	3.9831		1.6226	3.9721	4.7228	4.4350
H5	1.6298	1.0000	3.9831	1.6226		3.9721	4.4350	4.7228
H6	2.5580	3.3459	1.0008	3.9721	3.9721		1.6254	1.6254
H7	3.1301	4.0739	1.0002	4.7228	4.4350	1.6254		1.6242
H8	3.1301	4.0739	1.0002	4.4350	4.7228	1.6254	1.6242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	108.971	H1	N2	H5	108.971
H1	H3	N6	82.601	H1	H3	H7	121.704
H1	H3	H8	121.704	N2	H1	H3	158.171
H4	N2	H5	108.439	N6	H3	H7	108.642
N6	H3	H8	108.642	H7	H3	H8	108.572

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

using model chemistry: HF_cp_opt/6-31+G**

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
	0.773	-1.877	0.000	2.030
CHELPG
AIM
ESP

	x	y	z
x	1.423	0.019	0.000
y	0.019	1.437	0.000
z	0.000	0.000	1.408

<r²>	75.834
(<r²>)^1/2	8.708

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

using model chemistry: HF_cp_opt/6-31+G**

States and conformations

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