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

	hartrees
Energy at 0K	-112.772693
Energy at 298.15K	-112.778182
HF Energy	-112.394778
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	40.309457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3624	3451	0.00
2	A_g	3478	3313	0.00
3	A_g	1693	1612	0.00
4	A_g	1181	1125	0.00
5	A_g	443	422	0.00
6	A_g	154	147	0.00
7	A_u	3630	3458	0.11
8	A_u	1706	1625	17.10
9	A_u	244	233	99.31
10	A_u	107	101	26.67
11	B_g	3630	3458	0.00
12	B_g	1699	1618	0.00
13	B_g	153	146	0.00
14	B_u	3622	3450	19.35
15	B_u	3483	3317	16.23
16	B_u	1667	1587	7.88
17	B_u	1163	1108	256.96
18	B_u	108	103	278.46

Atom	x (Å)	y (Å)	z (Å)
H1	0.670	0.788	0.000
N2	0.000	1.563	0.000
N3	0.000	-1.563	0.000
H4	0.266	2.132	0.807
H5	0.266	2.132	-0.807
H6	-0.670	-0.788	0.000
H7	-0.266	-2.132	-0.807
H8	-0.266	-2.132	0.807

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0246	2.4439	1.6198	1.6198	2.0682	3.1707	3.1707
N2	1.0246		3.1253	1.0232	1.0232	2.4439	3.7915	3.7915
N3	2.4439	3.1253		3.7915	3.7915	1.0246	1.0232	1.0232
H4	1.6198	1.0232	3.7915		1.6149	3.1707	4.5910	4.2976
H5	1.6198	1.0232	3.7915	1.6149		3.1707	4.2976	4.5910
H6	2.0682	2.4439	1.0246	3.1707	3.1707		1.6198	1.6198
H7	3.1707	3.7915	1.0232	4.5910	4.2976	1.6198		1.6149
H8	3.1707	3.7915	1.0232	4.2976	4.5910	1.6198	1.6149

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

using model chemistry: MP2/cc-pVDZ

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	104.557	H1	N2	H5	104.557
H1	H3	N6	56.762	H1	H3	H7	127.341
H1	H3	H8	127.341	N2	H1	H3	123.238
H4	N2	H5	104.202	N6	H3	H7	104.557
N6	H3	H8	104.557	H7	H3	H8	104.202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3623	3451	0.18
2	A'	3622	3450	19.07
3	A'	3483	3317	16.19
4	A'	3478	3313	0.01
5	A'	1693	1612	0.00
6	A'	1667	1587	7.88
7	A'	1181	1125	0.00
8	A'	1163	1108	256.66
9	A'	443	422	0.00
10	A'	154	147	0.01
11	A'	108	103	278.48
12	A"	3630	3458	0.09
13	A"	3630	3457	0.02
14	A"	1707	1625	17.09
15	A"	1699	1618	0.00
16	A"	245	233	99.59
17	A"	153	146	0.00
18	A"	107	102	26.45

Atom	x (Å)	y (Å)	z (Å)
H1	0.167	0.690	0.000
N2	-0.029	1.685	0.000
N3	-0.029	-1.589	0.000
H4	0.372	2.118	0.820
H5	0.372	2.118	-0.820
H6	-1.030	-1.442	0.000
H7	0.262	-2.077	-0.838
H8	0.262	-2.077	0.838

	H1	N2	N3	H4	H5	H6	H7	H8
H1		1.0147	2.2876	1.6591	1.6591	2.4452	2.8921	2.8921
N2	1.0147		3.2749	1.0094	1.0094	3.2841	3.8653	3.8653
N3	2.2876	3.2749		3.8176	3.8176	1.0124	1.0118	1.0118
H4	1.6591	1.0094	3.8176		1.6394	3.9127	4.5112	4.1958
H5	1.6591	1.0094	3.8176	1.6394		3.9127	4.1958	4.5112
H6	2.4452	3.2841	1.0124	3.9127	3.9127		1.6659	1.6659
H7	2.8921	3.8653	1.0118	4.5112	4.1958	1.6659		1.6751
H8	2.8921	3.8653	1.0118	4.1958	4.5112	1.6659	1.6751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	H4	110.094	H1	N2	H5	110.094
H1	H3	N6	86.545	H1	H3	H7	117.084
H1	H3	H8	117.084	N2	H1	H3	163.972
H4	N2	H5	108.588	N6	H3	H7	110.771
N6	H3	H8	110.771	H7	H3	H8	111.748

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

using model chemistry: MP2/cc-pVDZ

States and conformations

Conformer 1 ()

Conformer 2 ()

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