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	hartrees
Energy at 0K	-151.022632
Energy at 298.15K	-151.030699
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	3342	1.91
2	A₁	3094	2949	41.27
3	A₁	1712	1631	45.67
4	A₁	1510	1439	0.59
5	A₁	1131	1078	37.25
6	A₁	893	851	1.12
7	A₁	462	441	5.97
8	A₂	3601	3432	0.00
9	A₂	1420	1354	0.00
10	A₂	1090	1038	0.00
11	A₂	279	266	0.00
12	B₁	3599	3430	0.18
13	B₁	3143	2996	28.16
14	B₁	1395	1329	0.39
15	B₁	857	816	0.22
16	B₁	419	399	109.34
17	B₂	3507	3343	0.21
18	B₂	1702	1622	2.22
19	B₂	1409	1343	22.82
20	B₂	1120	1067	75.71
21	B₂	812	774	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)