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	hartrees
Energy at 0K	-150.864939
Energy at 298.15K	-150.873009
HF Energy	-150.262984
Counterpoise corrected energy	-150.864939
CP Energy at 298.15K	-150.873009
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.307985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3554	3366	0.01
2	A₁	3120	2955	32.91
3	A₁	1706	1616	41.76
4	A₁	1533	1452	0.04
5	A₁	1149	1088	32.43
6	A₁	905	857	0.00
7	A₁	465	440	5.60
8	A₂	3642	3450	0.00
9	A₂	1431	1356	0.00
10	A₂	1095	1038	0.00
11	A₂	272	258	0.00
12	B₁	3641	3448	0.78
13	B₁	3170	3003	21.12
14	B₁	1406	1332	0.29
15	B₁	869	823	0.66
16	B₁	394	373	91.93
17	B₂	3554	3366	0.15
18	B₂	1697	1607	2.98
19	B₂	1423	1348	21.62
20	B₂	1132	1072	55.00
21	B₂	858	813	379.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.257	-0.185
N3	0.000	-1.257	-0.185
H4	0.878	0.000	1.206
H5	-0.878	0.000	1.206
H6	0.810	1.293	-0.794
H7	-0.810	1.293	-0.794
H8	-0.810	-1.293	-0.794
H9	0.810	-1.293	-0.794

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4597	1.4597	1.0921	1.0921	2.0380	2.0380	2.0380	2.0380
N2	1.4597		2.5142	2.0703	2.0703	1.0138	1.0138	2.7441	2.7441
N3	1.4597	2.5142		2.0703	2.0703	2.7441	2.7441	1.0138	1.0138
H4	1.0921	2.0703	2.0703		1.7570	2.3826	2.9191	2.9191	2.3826
H5	1.0921	2.0703	2.0703	1.7570		2.9191	2.3826	2.3826	2.9191
H6	2.0380	1.0138	2.7441	2.3826	2.9191		1.6191	3.0514	2.5864
H7	2.0380	1.0138	2.7441	2.9191	2.3826	1.6191		2.5864	3.0514
H8	2.0380	2.7441	1.0138	2.9191	2.3826	3.0514	2.5864		1.6191
H9	2.0380	2.7441	1.0138	2.3826	2.9191	2.5864	3.0514	1.6191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.639	C1	N2	H7	109.639
C1	N3	H8	109.639	C1	N3	H9	109.639
N2	C1	N3	118.895	N2	C1	H4	107.576
N2	C1	H5	107.576	N3	C1	H4	107.576
N3	C1	H5	107.576	H4	C1	H5	107.109
H6	N2	H7	105.989	H8	N3	H9	105.989

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)