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

	hartrees
Energy at 0K	-112.912392
Energy at 298.15K	-112.917671
HF Energy	-112.438942
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.487059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3637	3454	0.00
2	A_g	3496	3319	0.00
3	A_g	1690	1605	0.00
4	A_g	1119	1063	0.00
5	A_g	449	426	0.00
6	A_g	145	138	0.00
7	A_u	3653	3469	7.33
8	A_u	1704	1618	24.11
9	A_u	229	218	85.14
10	A_u	87	83	24.78
11	B_g	3653	3469	0.00
12	B_g	1693	1608	0.00
13	B_g	117	111	0.00
14	B_u	3637	3453	39.49
15	B_u	3501	3324	17.13
16	B_u	1668	1583	15.74
17	B_u	1095	1040	309.67
18	B_u	68	64	230.71

Atom	x (Å)	y (Å)	z (Å)
H1	0.641	0.766	0.000
N2	0.000	1.543	0.000
N3	0.000	-1.543	0.000
H4	0.152	2.100	0.821
H5	0.152	2.100	-0.821
H6	-0.641	-0.766	0.000
H7	-0.152	-2.100	-0.821
H8	-0.152	-2.100	0.821

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0070	2.3967	1.6409	1.6409	1.9987	3.0857	3.0857
N2	1.0070		3.0857	1.0042	1.0042	2.3967	3.7375	3.7375
N3	2.3967	3.0857		3.7375	3.7375	1.0070	1.0042	1.0042
H4	1.6409	1.0042	3.7375		1.6429	3.0857	4.5203	4.2112
H5	1.6409	1.0042	3.7375	1.6429		3.0857	4.2112	4.5203
H6	1.9987	2.3967	1.0070	3.0857	3.0857		1.6409	1.6409
H7	3.0857	3.7375	1.0042	4.5203	4.2112	1.6409		1.6429
H8	3.0857	3.7375	1.0042	4.2112	4.5203	1.6409	1.6429

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

using model chemistry: MP2/cc-pVTZ

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	109.343	H1	N2	H5	109.343
H1	H3	N6	55.079	H1	H3	H7	125.117
H1	H3	H8	125.117	N2	H1	H3	124.921
H4	N2	H5	109.765	N6	H3	H7	109.343
N6	H3	H8	109.343	H7	H3	H8	109.765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3637	3454	1.16
2	A'	3637	3453	38.34
3	A'	3501	3324	17.12
4	A'	3496	3319	0.00
5	A'	1690	1605	0.00
6	A'	1668	1583	15.74
7	A'	1119	1063	0.00
8	A'	1095	1040	309.67
9	A'	449	426	0.00
10	A'	145	138	0.00
11	A'	68	64	230.69
12	A"	3653	3469	7.33
13	A"	3653	3469	0.00
14	A"	1704	1618	24.11
15	A"	1693	1608	0.00
16	A"	229	217	85.14
17	A"	117	111	0.00
18	A"	87	83	24.79

Atom	x (Å)	y (Å)	z (Å)
H1	0.168	0.692	0.000
N2	-0.027	1.679	0.000
N3	-0.027	-1.588	0.000
H4	0.346	2.118	0.817
H5	0.346	2.118	-0.817
H6	-1.019	-1.438	0.000
H7	0.269	-2.063	-0.831
H8	0.269	-2.063	0.831

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0053	2.2884	1.6524	1.6524	2.4389	2.8799	2.8799
N2	1.0053		3.2662	0.9998	0.9998	3.2706	3.8442	3.8442
N3	2.2884	3.2662		3.8126	3.8126	1.0028	1.0019	1.0019
H4	1.6524	0.9998	3.8126		1.6339	3.8954	4.4945	4.1816
H5	1.6524	0.9998	3.8126	1.6339		3.8954	4.1816	4.4945
H6	2.4389	3.2706	1.0028	3.8954	3.8954		1.6548	1.6548
H7	2.8799	3.8442	1.0019	4.4945	4.1816	1.6548		1.6615
H8	2.8799	3.8442	1.0019	4.1816	4.4945	1.6548	1.6615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.991	H1	N2	H5	110.991
H1	H3	N6	86.327	H1	H3	H7	116.595
H1	H3	H8	116.595	N2	H1	H3	163.883
H4	N2	H5	109.593	N6	H3	H7	111.272
N6	H3	H8	111.272	H7	H3	H8	112.023

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

using model chemistry: MP2/cc-pVTZ

States and conformations

Conformer 1 ()

Conformer 2 ()

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