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	hartrees
Energy at 0K	-113.025217
Energy at 298.15K	-113.030373
HF Energy	-113.025217
Counterpoise corrected energy	-56.510042
CP Energy at 298.15K	-56.515181
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	39.585341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3482	6.61
2	A'	3463	3429	50.40
3	A'	3396	3362	4.30
4	A'	3321	3288	152.83
5	A'	1620	1604	16.05
6	A'	1610	1594	12.55
7	A'	1052	1042	99.43
8	A'	1036	1025	142.74
9	A'	383	380	51.07
10	A'	140	139	17.60
11	A'	98	97	56.60
12	A"	3520	3484	5.77
13	A"	3512	3477	0.74
14	A"	1644	1627	8.00
15	A"	1617	1601	19.08
16	A"	266	263	34.34
17	A"	123	121	36.57
18	A"	15	15	14.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.133	0.678	0.000
N2	-0.036	1.692	0.000
N3	-0.036	-1.558	0.000
H4	0.447	2.072	0.816
H5	0.447	2.072	-0.816
H6	-1.058	-1.586	0.000
H7	0.270	-2.087	-0.819
H8	0.270	-2.087	0.819

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0286	2.2422	1.6459	1.6459	2.5572	2.8864	2.8864
N2	1.0286		3.2505	1.0218	1.0218	3.4334	3.8788	3.8788
N3	2.2422	3.2505		3.7520	3.7520	1.0218	1.0215	1.0215
H4	1.6459	1.0218	3.7520		1.6327	4.0383	4.4720	4.1624
H5	1.6459	1.0218	3.7520	1.6327		4.0383	4.1624	4.4720
H6	2.5572	3.4334	1.0218	4.0383	4.0383		1.6382	1.6382
H7	2.8864	3.8788	1.0215	4.4720	4.1624	1.6382		1.6376
H8	2.8864	3.8788	1.0215	4.1624	4.4720	1.6382	1.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.786	H1	N2	H5	106.786
H1	H3	N6	95.859	H1	H3	H7	119.563
H1	H3	H8	119.563	N2	H1	H3	166.229
H4	N2	H5	106.062	N6	H3	H7	106.595
N6	H3	H8	106.595	H7	H3	H8	106.559

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

using model chemistry: PBEPBE/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	0.216
2	N	-0.367
3	N	-0.281
4	H	0.078
5	H	0.078
6	H	0.105
7	H	0.085
8	H	0.085

	x	y	z	Total
	0.925	-2.346	0.000	2.522
CHELPG
AIM
ESP

<r²>	70.356
(<r²>)^1/2	8.388

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

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

States and conformations

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