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	hartrees
Energy at 0K	-23.338346
Energy at 298.15K	-23.343462
HF Energy	-23.338346
Nuclear repulsion energy	27.953293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3779	3618	0.00
2	A_g	3563	3412	0.00
3	A_g	1660	1590	0.00
4	A_g	815	780	0.00
5	A_g	464	444	0.00
6	A_g	135	129	0.00
7	A_u	3808	3646	13.34
8	A_u	1690	1618	88.90
9	A_u	255	244	76.62
10	A_u	104	99	23.81
11	B_g	3808	3646	0.00
12	B_g	1662	1592	0.00
13	B_g	139	133	0.00
14	B_u	3778	3617	73.76
15	B_u	3571	3419	27.09
16	B_u	1651	1580	83.14
17	B_u	632	605	1310.13
18	B_u	47	45	225.47

Atom	x (Å)	y (Å)	z (Å)
H1	0.642	0.807	0.000
N2	0.000	1.595	0.000
N3	0.000	-1.595	0.000
H4	-0.036	2.137	0.855
H5	-0.036	2.137	-0.855
H6	-0.642	-0.807	0.000
H7	0.036	-2.137	-0.855
H8	0.036	-2.137	0.855

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0162	2.4870	1.7201	1.7201	2.0632	3.1253	3.1253
N2	1.0162		3.1904	1.0131	1.0131	2.4870	3.8290	3.8290
N3	2.4870	3.1904		3.8290	3.8290	1.0162	1.0131	1.0131
H4	1.7201	1.0131	3.8290		1.7107	3.1253	4.6039	4.2743
H5	1.7201	1.0131	3.8290	1.7107		3.1253	4.2743	4.6039
H6	2.0632	2.4870	1.0162	3.1253	3.1253		1.7201	1.7201
H7	3.1253	3.8290	1.0131	4.6039	4.2743	1.7201		1.7107
H8	3.1253	3.8290	1.0131	4.2743	4.6039	1.7201	1.7107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	115.909	H1	N2	H5	115.909
H1	H3	N6	54.140	H1	H3	H7	120.485
H1	H3	H8	120.485	N2	H1	H3	125.860
H4	N2	H5	115.201	N6	H3	H7	115.909
N6	H3	H8	115.909	H7	H3	H8	115.201

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

using model chemistry: B1B95/CEP-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	0.296
2	N	-0.818
3	N	-0.818
4	H	0.261
5	H	0.261
6	H	0.296
7	H	0.261
8	H	0.261

	x	y	z
x	1.285	-0.485	0.000
y	-0.485	3.152	0.000
z	0.000	0.000	2.668

<r²>	56.502
(<r²>)^1/2	7.517

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

using model chemistry: B1B95/CEP-31G

States and conformations

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