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	hartrees
Energy at 0K	-151.071690
Energy at 298.15K	-151.079643
HF Energy	-151.071690
Nuclear repulsion energy	83.207966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3518	3385	1.23
2	A₁	3074	2958	34.50
3	A₁	1649	1586	42.61
4	A₁	1463	1408	0.71
5	A₁	1097	1056	32.88
6	A₁	845	813	5.92
7	A₁	454	437	1.69
8	A₂	3610	3474	0.00
9	A₂	1387	1335	0.00
10	A₂	1069	1028	0.00
11	A₂	248	239	0.00
12	B₁	3608	3471	2.35
13	B₁	3122	3004	24.17
14	B₁	1358	1307	0.37
15	B₁	846	814	0.08
16	B₁	380	366	79.85
17	B₂	3518	3385	3.29
18	B₂	1641	1579	9.34
19	B₂	1372	1320	18.15
20	B₂	1110	1068	97.85
21	B₂	761	732	367.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
N2	0.000	1.257	-0.183
N3	0.000	-1.257	-0.183
H4	0.882	0.000	1.204
H5	-0.882	0.000	1.204
H6	0.817	1.332	-0.783
H7	-0.817	1.332	-0.783
H8	-0.817	-1.332	-0.783
H9	0.817	-1.332	-0.783

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4542	1.4542	1.0988	1.0988	2.0529	2.0529	2.0529	2.0529
N2	1.4542		2.5130	2.0692	2.0692	1.0165	1.0165	2.7796	2.7796
N3	1.4542	2.5130		2.0692	2.0692	2.7796	2.7796	1.0165	1.0165
H4	1.0988	2.0692	2.0692		1.7641	2.3927	2.9341	2.9341	2.3927
H5	1.0988	2.0692	2.0692	1.7641		2.9341	2.3927	2.3927	2.9341
H6	2.0529	1.0165	2.7796	2.3927	2.9341		1.6348	3.1250	2.6633
H7	2.0529	1.0165	2.7796	2.9341	2.3927	1.6348		2.6633	3.1250
H8	2.0529	2.7796	1.0165	2.9341	2.3927	3.1250	2.6633		1.6348
H9	2.0529	2.7796	1.0165	2.3927	2.9341	2.6633	3.1250	1.6348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.147	C1	N2	H7	111.147
C1	N3	H8	111.147	C1	N3	H9	111.147
N2	C1	N3	119.548	N2	C1	H4	107.471
N2	C1	H5	107.471	N3	C1	H4	107.471
N3	C1	H5	107.471	H4	C1	H5	106.777
H6	N2	H7	107.064	H8	N3	H9	107.064

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	0.886
2	N	-0.162
3	N	-0.162
4	H	-0.186
5	H	-0.186
6	H	-0.047
7	H	-0.047
8	H	-0.047
9	H	-0.047

<r²>	54.009
(<r²>)^1/2	7.349

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)