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	hartrees
Energy at 0K	-150.504579
Energy at 298.15K	-150.512378
HF Energy	-150.201005
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	81.286168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3396	0.20
2	A₁	3087	2973	48.94
3	A₁	1719	1655	56.93
4	A₁	1510	1455	2.15
5	A₁	1062	1022	91.46
6	A₁	726	700	71.15
7	A₁	451	434	0.06
8	A₂	3659	3524	0.00
9	A₂	1398	1346	0.00
10	A₂	1055	1016	0.00
11	A₂	245	236	0.00
12	B₁	3660	3525	1.45
13	B₁	3164	3048	37.41
14	B₁	1368	1317	1.10
15	B₁	836	805	0.27
16	B₁	399	384	109.20
17	B₂	3528	3398	0.75
18	B₂	1708	1645	12.65
19	B₂	1411	1359	10.03
20	B₂	1050	1012	103.58
21	B₂	593	571	604.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.288	-0.200
N3	0.000	-1.288	-0.200
H4	0.893	0.000	1.201
H5	-0.893	0.000	1.201
H6	0.848	1.471	-0.739
H7	-0.848	1.471	-0.739
H8	-0.848	-1.471	-0.739
H9	0.848	-1.471	-0.739

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4943	1.4943	1.1006	1.1006	2.1370	2.1370	2.1370	2.1370
N2	1.4943		2.5763	2.1021	2.1021	1.0218	1.0218	2.9370	2.9370
N3	1.4943	2.5763		2.1021	2.1021	2.9370	2.9370	1.0218	1.0218
H4	1.1006	2.1021	2.1021		1.7856	2.4359	2.9937	2.9937	2.4359
H5	1.1006	2.1021	2.1021	1.7856		2.9937	2.4359	2.4359	2.9937
H6	2.1370	1.0218	2.9370	2.4359	2.9937		1.6961	3.3967	2.9429
H7	2.1370	1.0218	2.9370	2.9937	2.4359	1.6961		2.9429	3.3967
H8	2.1370	2.9370	1.0218	2.9937	2.4359	3.3967	2.9429		1.6961
H9	2.1370	2.9370	1.0218	2.4359	2.9937	2.9429	3.3967	1.6961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.986	C1	N2	H7	114.986
C1	N3	H8	114.986	C1	N3	H9	114.986
N2	C1	N3	119.091	N2	C1	H4	107.240
N2	C1	H5	107.240	N3	C1	H4	107.240
N3	C1	H5	107.240	H4	C1	H5	108.433
H6	N2	H7	112.184	H8	N3	H9	112.184

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2/LANL2DZ

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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)