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	hartrees
Energy at 0K	-151.179397
Energy at 298.15K	-151.187431
HF Energy	-151.179397
Nuclear repulsion energy	83.330319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3536	3364	1.34
2	A₁	3088	2939	43.18
3	A₁	1685	1603	42.24
4	A₁	1501	1428	0.41
5	A₁	1118	1064	38.69
6	A₁	874	831	2.53
7	A₁	462	440	5.17
8	A₂	3631	3455	0.00
9	A₂	1413	1344	0.00
10	A₂	1081	1028	0.00
11	A₂	274	261	0.00
12	B₁	3629	3453	0.01
13	B₁	3138	2985	28.66
14	B₁	1382	1315	0.23
15	B₁	854	812	0.13
16	B₁	414	394	103.18
17	B₂	3537	3365	0.12
18	B₂	1676	1594	3.53
19	B₂	1403	1335	20.80
20	B₂	1111	1057	77.48
21	B₂	787	749	444.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.258	-0.182
N3	0.000	-1.258	-0.182
H4	0.877	0.000	1.201
H5	-0.877	0.000	1.201
H6	0.814	1.319	-0.784
H7	-0.814	1.319	-0.784
H8	-0.814	-1.319	-0.784
H9	0.814	-1.319	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4542	1.4542	1.0939	1.0939	2.0434	2.0434	2.0434	2.0434
N2	1.4542		2.5160	2.0653	2.0653	1.0145	1.0145	2.7687	2.7687
N3	1.4542	2.5160		2.0653	2.0653	2.7687	2.7687	1.0145	1.0145
H4	1.0939	2.0653	2.0653		1.7541	2.3843	2.9226	2.9226	2.3843
H5	1.0939	2.0653	2.0653	1.7541		2.9226	2.3843	2.3843	2.9226
H6	2.0434	1.0145	2.7687	2.3843	2.9226		1.6285	3.1000	2.6377
H7	2.0434	1.0145	2.7687	2.9226	2.3843	1.6285		2.6377	3.1000
H8	2.0434	2.7687	1.0145	2.9226	2.3843	3.1000	2.6377		1.6285
H9	2.0434	2.7687	1.0145	2.3843	2.9226	2.6377	3.1000	1.6285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.464	C1	N2	H7	110.464
C1	N3	H8	110.464	C1	N3	H9	110.464
N2	C1	N3	119.777	N2	C1	H4	107.447
N2	C1	H5	107.447	N3	C1	H4	107.447
N3	C1	H5	107.447	H4	C1	H5	106.598
H6	N2	H7	106.767	H8	N3	H9	106.767

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: mPW1PW91/6-31G**

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	-0.036
2	N	-0.622
3	N	-0.622
4	H	0.146
5	H	0.146
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	53.399
(<r²>)^1/2	7.307

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)