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	hartrees
Energy at 0K	-150.988172
Energy at 298.15K
HF Energy	-150.988172
Nuclear repulsion energy	82.920618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3585	3429	0.22
2	A₁	3092	2958	50.28
3	A₁	1720	1646	49.98
4	A₁	1517	1451	3.02
5	A₁	1088	1041	66.23
6	A₁	672	643	120.09
7	A₁	455	435	6.89
8	A₂	3712	3551	0.00
9	A₂	1416	1355	0.00
10	A₂	1064	1018	0.00
11	A₂	243	233	0.00
12	B₁	3712	3551	2.03
13	B₁	3147	3011	32.78
14	B₁	1364	1305	1.03
15	B₁	843	806	1.96
16	B₁	417	399	93.30
17	B₂	3587	3431	0.08
18	B₂	1710	1635	15.68
19	B₂	1424	1362	6.58
20	B₂	1113	1064	129.91
21	B₂	460	440	615.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.538
N2	0.000	1.253	-0.197
N3	0.000	-1.253	-0.197
H4	0.878	0.000	1.192
H5	-0.878	0.000	1.192
H6	0.842	1.469	-0.712
H7	-0.842	1.469	-0.712
H8	-0.842	-1.469	-0.712
H9	0.842	-1.469	-0.712

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4532	1.4532	1.0945	1.0945	2.1046	2.1046	2.1046	2.1046
N2	1.4532		2.5069	2.0666	2.0666	1.0102	1.0102	2.8961	2.8961
N3	1.4532	2.5069		2.0666	2.0666	2.8961	2.8961	1.0102	1.0102
H4	1.0945	2.0666	2.0666		1.7556	2.4046	2.9563	2.9563	2.4046
H5	1.0945	2.0666	2.0666	1.7556		2.9563	2.4046	2.4046	2.9563
H6	2.1046	1.0102	2.8961	2.4046	2.9563		1.6847	3.3873	2.9386
H7	2.1046	1.0102	2.8961	2.9563	2.4046	1.6847		2.9386	3.3873
H8	2.1046	2.8961	1.0102	2.9563	2.4046	3.3873	2.9386		1.6847
H9	2.1046	2.8961	1.0102	2.4046	2.9563	2.9386	3.3873	1.6847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.220	C1	N2	H7	116.220
C1	N3	H8	116.220	C1	N3	H9	116.220
N2	C1	N3	119.209	N2	C1	H4	107.590
N2	C1	H5	107.590	N3	C1	H4	107.590
N3	C1	H5	107.590	H4	C1	H5	106.647
H6	N2	H7	112.994	H8	N3	H9	112.994

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/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	-0.078
2	N	-0.730
3	N	-0.730
4	H	0.182
5	H	0.182
6	H	0.293
7	H	0.293
8	H	0.293
9	H	0.293

<r²>	54.393
(<r²>)^1/2	7.375

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)