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State	Conformation	minimum conformation	conformer description	state description
1	1	no
1	2	no

	hartrees
Energy at 0K	-112.825340
Energy at 298.15K	-112.830827
HF Energy	-112.424574
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.526204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3654	3472	0.00
2	A_g	3511	3336	0.00
3	A_g	1682	1598	0.00
4	A_g	1158	1100	0.00
5	A_g	464	441	0.00
6	A_g	151	144	0.00
7	A_u	3666	3483	1.28
8	A_u	1699	1614	29.41
9	A_u	247	234	102.65
10	A_u	100	95	24.10
11	B_g	3666	3483	0.00
12	B_g	1687	1603	0.00
13	B_g	138	131	0.00
14	B_u	3653	3471	25.02
15	B_u	3516	3341	13.81
16	B_u	1654	1571	16.90
17	B_u	1138	1082	359.55
18	B_u	120	114	269.78

Atom	x (Å)	y (Å)	z (Å)
H1	0.669	0.795	0.000
N2	0.000	1.559	0.000
N3	0.000	-1.559	0.000
H4	0.214	2.129	0.811
H5	0.214	2.129	-0.811
H6	-0.669	-0.795	0.000
H7	-0.214	-2.129	-0.811
H8	-0.214	-2.129	0.811

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0156	2.4466	1.6263	1.6263	2.0769	3.1599	3.1599
N2	1.0156		3.1179	1.0140	1.0140	2.4466	3.7823	3.7823
N3	2.4466	3.1179		3.7823	3.7823	1.0156	1.0140	1.0140
H4	1.6263	1.0140	3.7823		1.6212	3.1599	4.5767	4.2800
H5	1.6263	1.0140	3.7823	1.6212		3.1599	4.2800	4.5767
H6	2.0769	2.4466	1.0156	3.1599	3.1599		1.6263	1.6263
H7	3.1599	3.7823	1.0140	4.5767	4.2800	1.6263		1.6212
H8	3.1599	3.7823	1.0140	4.2800	4.5767	1.6263	1.6212

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

using model chemistry: MP2/6-311G**

States and conformations

Conformer 1 ()

Conformer 2 ()

	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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	106.501	H1	N2	H5	106.501
H1	H3	N6	57.037	H1	H3	H7	126.780
H1	H3	H8	126.780	N2	H1	H3	122.963
H4	N2	H5	106.143	N6	H3	H7	106.501
N6	H3	H8	106.501	H7	H3	H8	106.143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3472	0.01
2	A'	3653	3471	24.89
3	A'	3516	3341	13.86
4	A'	3511	3336	0.00
5	A'	1682	1598	0.00
6	A'	1654	1571	16.91
7	A'	1158	1100	0.00
8	A'	1138	1082	359.56
9	A'	463	440	0.00
10	A'	151	144	0.00
11	A'	120	114	269.74
12	A"	3666	3484	1.21
13	A"	3666	3483	0.08
14	A"	1699	1614	29.41
15	A"	1687	1603	0.00
16	A"	247	234	102.44
17	A"	137	130	0.00
18	A"	99	94	24.31

Atom	x (Å)	y (Å)	z (Å)
H1	0.168	0.690	0.000
N2	-0.028	1.679	0.000
N3	-0.028	-1.587	0.000
H4	0.355	2.115	0.817
H5	0.355	2.115	-0.817
H6	-1.022	-1.435	0.000
H7	0.266	-2.066	-0.833
H8	0.266	-2.066	0.833

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0077	2.2857	1.6533	1.6533	2.4361	2.8809	2.8809
N2	1.0077		3.2658	1.0024	1.0024	3.2692	3.8474	3.8474
N3	2.2857	3.2658		3.8106	3.8106	1.0054	1.0045	1.0045
H4	1.6533	1.0024	3.8106		1.6345	3.8950	4.4958	4.1821
H5	1.6533	1.0024	3.8106	1.6345		3.8950	4.1821	4.4958
H6	2.4361	3.2692	1.0054	3.8950	3.8950		1.6578	1.6578
H7	2.8809	3.8474	1.0045	4.4958	4.1821	1.6578		1.6656
H8	2.8809	3.8474	1.0045	4.1821	4.4958	1.6578	1.6656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.665	H1	N2	H5	110.665
H1	H3	N6	86.253	H1	H3	H7	116.740
H1	H3	H8	116.740	N2	H1	H3	163.890
H4	N2	H5	109.237	N6	H3	H7	111.146
N6	H3	H8	111.146	H7	H3	H8	111.999

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

using model chemistry: MP2/6-311G**

States and conformations

Conformer 1 ()

Conformer 2 ()

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