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	hartrees
Energy at 0K	-151.144382
Energy at 298.15K	-151.152323
HF Energy	-151.144382
Nuclear repulsion energy	82.144914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3349	3323	11.00
2	A₁	2981	2958	42.99
3	A₁	1635	1622	26.89
4	A₁	1457	1446	0.00
5	A₁	1075	1066	25.72
6	A₁	825	819	0.08
7	A₁	436	433	6.36
8	A₂	3434	3408	0.00
9	A₂	1368	1357	0.00
10	A₂	1053	1045	0.00
11	A₂	271	269	0.00
12	B₁	3433	3406	7.10
13	B₁	3024	3001	30.53
14	B₁	1340	1329	0.64
15	B₁	829	823	0.26
16	B₁	406	403	91.55
17	B₂	3348	3323	0.47
18	B₂	1624	1611	0.31
19	B₂	1360	1349	22.04
20	B₂	1013	1005	34.80
21	B₂	778	772	445.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.283	-0.181
N3	0.000	-1.283	-0.181
H4	0.887	0.000	1.209
H5	-0.887	0.000	1.209
H6	0.819	1.321	-0.802
H7	-0.819	1.321	-0.802
H8	-0.819	-1.321	-0.802
H9	0.819	-1.321	-0.802

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4793	1.4793	1.1024	1.1024	2.0631	2.0631	2.0631	2.0631
N2	1.4793		2.5664	2.0896	2.0896	1.0281	1.0281	2.8000	2.8000
N3	1.4793	2.5664		2.0896	2.0896	2.8000	2.8000	1.0281	1.0281
H4	1.1024	2.0896	2.0896		1.7745	2.4069	2.9496	2.9496	2.4069
H5	1.1024	2.0896	2.0896	1.7745		2.9496	2.4069	2.4069	2.9496
H6	2.0631	1.0281	2.8000	2.4069	2.9496		1.6380	3.1094	2.6429
H7	2.0631	1.0281	2.8000	2.9496	2.4069	1.6380		2.6429	3.1094
H8	2.0631	2.8000	1.0281	2.9496	2.4069	3.1094	2.6429		1.6380
H9	2.0631	2.8000	1.0281	2.4069	2.9496	2.6429	3.1094	1.6380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.416	C1	N2	H7	109.416
C1	N3	H8	109.416	C1	N3	H9	109.416
N2	C1	N3	120.331	N2	C1	H4	107.174
N2	C1	H5	107.174	N3	C1	H4	107.174
N3	C1	H5	107.174	H4	C1	H5	107.188
H6	N2	H7	105.615	H8	N3	H9	105.615

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/6-31G**

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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Number	Element	Mulliken
1	C	0.021
2	N	-0.533
3	N	-0.533
4	H	0.103
5	H	0.103
6	H	0.210
7	H	0.210
8	H	0.210
9	H	0.210

<r²>	54.776
(<r²>)^1/2	7.401

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)