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	hartrees
Energy at 0K	-151.022632
Energy at 298.15K	-151.030687
HF Energy	-151.022632
Nuclear repulsion energy	83.274544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3506	3332	1.91
2	A₁	3094	2941	41.27
3	A₁	1712	1626	45.67
4	A₁	1510	1435	0.59
5	A₁	1131	1075	37.25
6	A₁	893	848	1.12
7	A₁	462	439	5.97
8	A₂	3601	3422	0.00
9	A₂	1420	1350	0.00
10	A₂	1090	1035	0.00
11	A₂	279	265	0.00
12	B₁	3599	3420	0.18
13	B₁	3143	2987	28.16
14	B₁	1395	1325	0.39
15	B₁	857	814	0.22
16	B₁	419	398	109.34
17	B₂	3507	3333	0.21
18	B₂	1702	1617	2.22
19	B₂	1409	1339	22.82
20	B₂	1120	1064	75.71
21	B₂	812	772	453.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.259	-0.181
N3	0.000	-1.259	-0.181
H4	0.879	0.000	1.202
H5	-0.879	0.000	1.202
H6	0.815	1.314	-0.787
H7	-0.815	1.314	-0.787
H8	-0.815	-1.314	-0.787
H9	0.815	-1.314	-0.787

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4546	1.4546	1.0955	1.0955	2.0430	2.0430	2.0430	2.0430
N2	1.4546		2.5172	2.0663	2.0663	1.0172	1.0172	2.7660	2.7660
N3	1.4546	2.5172		2.0663	2.0663	2.7660	2.7660	1.0172	1.0172
H4	1.0955	2.0663	2.0663		1.7579	2.3847	2.9245	2.9245	2.3847
H5	1.0955	2.0663	2.0663	1.7579		2.9245	2.3847	2.3847	2.9245
H6	2.0430	1.0172	2.7660	2.3847	2.9245		1.6303	3.0929	2.6284
H7	2.0430	1.0172	2.7660	2.9245	2.3847	1.6303		2.6284	3.0929
H8	2.0430	2.7660	1.0172	2.9245	2.3847	3.0929	2.6284		1.6303
H9	2.0430	2.7660	1.0172	2.3847	2.9245	2.6284	3.0929	1.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.236	C1	N2	H7	110.236
C1	N3	H8	110.236	C1	N3	H9	110.236
N2	C1	N3	119.827	N2	C1	H4	107.410
N2	C1	H5	107.410	N3	C1	H4	107.410
N3	C1	H5	107.410	H4	C1	H5	106.708
H6	N2	H7	106.526	H8	N3	H9	106.526

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBE1PBE/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	-0.127
2	N	-0.732
3	N	-0.732
4	H	0.184
5	H	0.184
6	H	0.306
7	H	0.306
8	H	0.306
9	H	0.306

<r²>	53.501
(<r²>)^1/2	7.314

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)