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

	hartrees
Energy at 0K	-112.567636
Energy at 298.15K	-112.573250
HF Energy	-112.334567
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.358169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3718	3557	0.00
2	A_g	3525	3373	0.00
3	A_g	1757	1681	0.00
4	A_g	917	877	0.00
5	A_g	527	504	0.00
6	A_g	161	154	0.00
7	A_u	3734	3572	5.99
8	A_u	1783	1706	62.79
9	A_u	280	268	102.75
10	A_u	128	122	27.15
11	B_g	3733	3572	0.00
12	B_g	1763	1687	0.00
13	B_g	183	175	0.00
14	B_u	3719	3559	55.54
15	B_u	3533	3381	21.14
16	B_u	1743	1667	52.63
17	B_u	827	791	920.14
18	B_u	126	121	294.15

Atom	x (Å)	y (Å)	z (Å)
H1	0.630	0.785	0.000
N2	0.000	1.580	0.000
N3	0.000	-1.580	0.000
H4	0.046	2.136	0.844
H5	0.046	2.136	-0.844
H6	-0.630	-0.785	0.000
H7	-0.046	-2.136	-0.844
H8	-0.046	-2.136	0.844

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0144	2.4469	1.6971	1.6971	2.0126	3.1145	3.1145
N2	1.0144		3.1595	1.0123	1.0123	2.4469	3.8108	3.8108
N3	2.4469	3.1595		3.8108	3.8108	1.0144	1.0123	1.0123
H4	1.6971	1.0123	3.8108		1.6890	3.1145	4.5947	4.2730
H5	1.6971	1.0123	3.8108	1.6890		3.1145	4.2730	4.5947
H6	2.0126	2.4469	1.0144	3.1145	3.1145		1.6971	1.6971
H7	3.1145	3.8108	1.0123	4.5947	4.2730	1.6971		1.6890
H8	3.1145	3.8108	1.0123	4.2730	4.5947	1.6971	1.6890

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

using model chemistry: MP2/6-31G

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	113.736	H1	N2	H5	113.736
H1	H3	N6	53.312	H1	H3	H7	122.865
H1	H3	H8	122.865	N2	H1	H3	126.688
H4	N2	H5	113.077	N6	H3	H7	113.736
N6	H3	H8	113.736	H7	H3	H8	113.077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3559	55.73
2	A'	3718	3557	0.12
3	A'	3534	3381	21.38
4	A'	3526	3373	0.00
5	A'	1757	1681	0.00
6	A'	1742	1667	52.74
7	A'	916	876	0.00
8	A'	825	789	922.69
9	A'	527	505	0.00
10	A'	162	155	0.00
11	A'	127	122	293.57
12	A"	3735	3573	4.93
13	A"	3734	3573	1.15
14	A"	1783	1706	62.89
15	A"	1763	1687	0.00
16	A"	279	267	101.96
17	A"	183	175	0.00
18	A"	127	121	27.49

Atom	x (Å)	y (Å)	z (Å)
H1	0.173	0.679	0.000
N2	-0.020	1.675	0.000
N3	-0.020	-1.602	0.000
H4	0.256	2.157	0.843
H5	0.256	2.157	-0.843
H6	-1.013	-1.409	0.000
H7	0.306	-2.048	-0.847
H8	0.306	-2.048	0.847

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0147	2.2893	1.7039	1.7039	2.4016	2.8582	2.8582
N2	1.0147		3.2773	1.0098	1.0098	3.2402	3.8318	3.8318
N3	2.2893	3.2773		3.8628	3.8628	1.0117	1.0113	1.0113
H4	1.7039	1.0098	3.8628		1.6860	3.8785	4.5322	4.2052
H5	1.7039	1.0098	3.8628	1.6860		3.8785	4.2052	4.5322
H6	2.4016	3.2402	1.0117	3.8785	3.8785		1.6932	1.6932
H7	2.8582	3.8318	1.0113	4.5322	4.2052	1.6932		1.6944
H8	2.8582	3.8318	1.0113	4.2052	4.5322	1.6932	1.6944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	114.629	H1	N2	H5	114.629
H1	H3	N6	83.843	H1	H3	H7	114.303
H1	H3	H8	114.303	N2	H1	H3	164.184
H4	N2	H5	113.194	N6	H3	H7	113.640
N6	H3	H8	113.640	H7	H3	H8	113.803

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

using model chemistry: MP2/6-31G

States and conformations

Conformer 1 ()

Conformer 2 ()

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