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	hartrees
Energy at 0K	-151.175190
Energy at 298.15K	-151.183152
HF Energy	-151.175190
Nuclear repulsion energy	82.160564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3351	3342	15.91
2	A₁	2977	2969	45.79
3	A₁	1675	1671	51.87
4	A₁	1457	1453	0.48
5	A₁	1075	1072	31.07
6	A₁	829	827	0.16
7	A₁	441	440	5.16
8	A₂	3429	3421	0.00
9	A₂	1376	1373	0.00
10	A₂	1066	1063	0.00
11	A₂	269	268	0.00
12	B₁	3429	3420	10.16
13	B₁	3013	3005	35.20
14	B₁	1351	1348	1.38
15	B₁	833	831	0.51
16	B₁	414	413	94.12
17	B₂	3351	3342	0.68
18	B₂	1663	1659	0.24
19	B₂	1362	1359	17.96
20	B₂	1002	1000	35.69
21	B₂	780	778	512.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.283	-0.183
N3	0.000	-1.283	-0.183
H4	0.884	0.000	1.207
H5	-0.884	0.000	1.207
H6	0.822	1.339	-0.793
H7	-0.822	1.339	-0.793
H8	-0.822	-1.339	-0.793
H9	0.822	-1.339	-0.793

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4788	1.4788	1.0998	1.0998	2.0688	2.0688	2.0688	2.0688
N2	1.4788		2.5659	2.0877	2.0877	1.0254	1.0254	2.8146	2.8146
N3	1.4788	2.5659		2.0877	2.0877	2.8146	2.8146	1.0254	1.0254
H4	1.0998	2.0877	2.0877		1.7681	2.4079	2.9503	2.9503	2.4079
H5	1.0998	2.0877	2.0877	1.7681		2.9503	2.4079	2.4079	2.9503
H6	2.0688	1.0254	2.8146	2.4079	2.9503		1.6435	3.1418	2.6776
H7	2.0688	1.0254	2.8146	2.9503	2.4079	1.6435		2.6776	3.1418
H8	2.0688	2.8146	1.0254	2.9503	2.4079	3.1418	2.6776		1.6435
H9	2.0688	2.8146	1.0254	2.4079	2.9503	2.6776	3.1418	1.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.091	C1	N2	H7	110.091
C1	N3	H8	110.091	C1	N3	H9	110.091
N2	C1	N3	120.352	N2	C1	H4	107.209
N2	C1	H5	107.209	N3	C1	H4	107.209
N3	C1	H5	107.209	H4	C1	H5	106.993
H6	N2	H7	106.526	H8	N3	H9	106.526

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/6-311G*

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	-0.192
2	N	-0.667
3	N	-0.667
4	H	0.207
5	H	0.207
6	H	0.278
7	H	0.278
8	H	0.278
9	H	0.278

<r²>	55.181
(<r²>)^1/2	7.428

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)