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	hartrees
Energy at 0K	-151.101481
Energy at 298.15K	-151.109470
HF Energy	-151.101481
Nuclear repulsion energy	83.387010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3530	3389	0.09
2	A₁	3072	2949	37.00
3	A₁	1674	1607	57.59
4	A₁	1480	1421	0.93
5	A₁	1097	1053	42.52
6	A₁	843	809	9.96
7	A₁	460	442	2.49
8	A₂	3622	3477	0.00
9	A₂	1404	1348	0.00
10	A₂	1077	1034	0.00
11	A₂	260	250	0.00
12	B₁	3620	3475	1.26
13	B₁	3115	2991	25.84
14	B₁	1372	1317	0.05
15	B₁	851	817	0.22
16	B₁	399	383	92.95
17	B₂	3531	3390	0.78
18	B₂	1663	1597	6.88
19	B₂	1398	1342	20.98
20	B₂	1097	1053	96.37
21	B₂	753	723	446.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.545
N2	0.000	1.255	-0.184
N3	0.000	-1.255	-0.184
H4	0.875	0.000	1.199
H5	-0.875	0.000	1.199
H6	0.818	1.342	-0.774
H7	-0.818	1.342	-0.774
H8	-0.818	-1.342	-0.774
H9	0.818	-1.342	-0.774

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4514	1.4514	1.0926	1.0926	2.0521	2.0521	2.0521	2.0521
N2	1.4514		2.5096	2.0626	2.0626	1.0123	1.0123	2.7860	2.7860
N3	1.4514	2.5096		2.0626	2.0626	2.7860	2.7860	1.0123	1.0123
H4	1.0926	2.0626	2.0626		1.7510	2.3868	2.9261	2.9261	2.3868
H5	1.0926	2.0626	2.0626	1.7510		2.9261	2.3868	2.3868	2.9261
H6	2.0521	1.0123	2.7860	2.3868	2.9261		1.6366	3.1441	2.6846
H7	2.0521	1.0123	2.7860	2.9261	2.3868	1.6366		2.6846	3.1441
H8	2.0521	2.7860	1.0123	2.9261	2.3868	3.1441	2.6846		1.6366
H9	2.0521	2.7860	1.0123	2.3868	2.9261	2.6846	3.1441	1.6366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.554	C1	N2	H7	111.554
C1	N3	H8	111.554	C1	N3	H9	111.554
N2	C1	N3	119.655	N2	C1	H4	107.501
N2	C1	H5	107.501	N3	C1	H4	107.501
N3	C1	H5	107.501	H4	C1	H5	106.498
H6	N2	H7	107.874	H8	N3	H9	107.874

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/TZVP

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	-0.219
2	N	-0.409
3	N	-0.409
4	H	0.142
5	H	0.142
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	53.785
(<r²>)^1/2	7.334

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)