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	hartrees
Energy at 0K	-149.738478
Energy at 298.15K	-149.746479
HF Energy	-149.399733
Counterpoise corrected energy	-149.738478
CP Energy at 298.15K	-149.746479
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	81.543478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	3262	9.92
2	A₁	3058	2964	35.42
3	A₁	1754	1700	30.64
4	A₁	1548	1500	0.74
5	A₁	1098	1064	51.46
6	A₁	786	761	2.16
7	A₁	440	427	7.18
8	A₂	3461	3354	0.00
9	A₂	1430	1386	0.00
10	A₂	1097	1063	0.00
11	A₂	296	287	0.00
12	B₁	3461	3355	8.92
13	B₁	3104	3008	25.91
14	B₁	1394	1351	0.58
15	B₁	839	813	0.29
16	B₁	430	417	121.73
17	B₂	3366	3263	1.58
18	B₂	1741	1688	0.09
19	B₂	1416	1373	6.61
20	B₂	1041	1009	6.71
21	B₂	714	692	542.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.564
N2	0.000	1.290	-0.191
N3	0.000	-1.290	-0.191
H4	0.888	0.000	1.207
H5	-0.888	0.000	1.207
H6	0.836	1.377	-0.781
H7	-0.836	1.377	-0.781
H8	-0.836	-1.377	-0.781
H9	0.836	-1.377	-0.781

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4944	1.4944	1.0968	1.0968	2.0981	2.0981	2.0981	2.0981
N2	1.4944		2.5796	2.0993	2.0993	1.0271	1.0271	2.8561	2.8561
N3	1.4944	2.5796		2.0993	2.0993	2.8561	2.8561	1.0271	1.0271
H4	1.0968	2.0993	2.0993		1.7768	2.4184	2.9700	2.9700	2.4184
H5	1.0968	2.0993	2.0993	1.7768		2.9700	2.4184	2.4184	2.9700
H6	2.0981	1.0271	2.8561	2.4184	2.9700		1.6728	3.2215	2.7532
H7	2.0981	1.0271	2.8561	2.9700	2.4184	1.6728		2.7532	3.2215
H8	2.0981	2.8561	1.0271	2.9700	2.4184	3.2215	2.7532		1.6728
H9	2.0981	2.8561	1.0271	2.4184	2.9700	2.7532	3.2215	1.6728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.279	C1	N2	H7	111.279
C1	N3	H8	111.279	C1	N3	H9	111.279
N2	C1	N3	119.340	N2	C1	H4	107.226
N2	C1	H5	107.226	N3	C1	H4	107.226
N3	C1	H5	107.226	H4	C1	H5	108.190
H6	N2	H7	109.035	H8	N3	H9	109.035

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: QCISD/3-21G

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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)