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	hartrees
Energy at 0K	-112.319342
Energy at 298.15K	-112.325604
HF Energy	-112.319342
Counterpoise corrected energy	-56.150852
CP Energy at 298.15K	-56.156547
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	41.755793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3389	3358	0.00
2	A_g	3193	3164	0.00
3	A_g	1711	1696	0.00
4	A_g	1045	1036	0.00
5	A_g	621	615	0.00
6	A_g	245	243	0.00
7	A_u	3442	3411	4.17
8	A_u	1747	1731	26.14
9	A_u	390	386	89.36
10	A_u	171	169	45.80
11	B_g	3441	3410	0.00
12	B_g	1732	1716	0.00
13	B_g	251	249	0.00
14	B_u	3390	3359	36.08
15	B_u	3226	3196	203.62
16	B_u	1667	1651	10.58
17	B_u	848	840	480.66
18	B_u	215	213	460.08

Atom	x (Å)	y (Å)	z (Å)
H1	0.646	0.603	0.000
N2	0.000	1.417	0.000
N3	0.000	-1.417	0.000
H4	0.147	1.996	0.842
H5	0.147	1.996	-0.842
H6	-0.646	-0.603	0.000
H7	-0.147	-1.996	-0.842
H8	-0.147	-1.996	0.842

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0394	2.1210	1.7025	1.7025	1.7679	2.8446	2.8446
N2	1.0394		2.8342	1.0324	1.0324	2.1210	3.5182	3.5182
N3	2.1210	2.8342		3.5182	3.5182	1.0394	1.0324	1.0324
H4	1.7025	1.0324	3.5182		1.6849	2.8446	4.3422	4.0020
H5	1.7025	1.0324	3.5182	1.6849		2.8446	4.0020	4.3422
H6	1.7679	2.1210	1.0394	2.8446	2.8446		1.7025	1.7025
H7	2.8446	3.5182	1.0324	4.3422	4.0020	1.7025		1.6849
H8	2.8446	3.5182	1.0324	4.0020	4.3422	1.7025	1.6849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.519	H1	N2	H5	110.519
H1	H3	N6	56.188	H1	H3	H7	125.238
H1	H3	H8	125.238	N2	H1	H3	123.812
H4	N2	H5	109.371	N6	H3	H7	110.519
N6	H3	H8	110.519	H7	H3	H8	109.371

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

using model chemistry: PBEPBEultrafine/3-21G

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	0.285
2	N	-0.800
3	N	-0.800
4	H	0.257
5	H	0.257
6	H	0.285
7	H	0.257
8	H	0.257

	x	y	z
x	1.167	-0.044	0.000
y	-0.044	3.722	0.000
z	0.000	0.000	2.521

<r²>	56.156
(<r²>)^1/2	7.494

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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