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	hartrees
Energy at 0K	-150.442923
Energy at 298.15K	-150.450764
HF Energy	-150.442923
Nuclear repulsion energy	83.241161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3413	3374	0.53
2	A₁	2984	2950	26.48
3	A₁	1570	1552	45.46
4	A₁	1384	1368	1.41
5	A₁	1079	1067	25.11
6	A₁	790	781	12.13
7	A₁	440	435	0.56
8	A₂	3509	3469	0.00
9	A₂	1323	1308	0.00
10	A₂	1022	1011	0.00
11	A₂	240	238	0.00
12	B₁	3505	3466	6.99
13	B₁	3031	2997	15.62
14	B₁	1296	1282	0.58
15	B₁	810	801	0.03
16	B₁	381	377	75.36
17	B₂	3415	3376	3.70
18	B₂	1561	1544	11.80
19	B₂	1304	1289	12.91
20	B₂	1110	1098	108.25
21	B₂	680	672	394.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.542
N2	0.000	1.250	-0.182
N3	0.000	-1.250	-0.182
H4	0.887	0.000	1.208
H5	-0.887	0.000	1.208
H6	0.828	1.342	-0.781
H7	-0.828	1.342	-0.781
H8	-0.828	-1.342	-0.781
H9	0.828	-1.342	-0.781

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4442	1.4442	1.1090	1.1090	2.0581	2.0581	2.0581	2.0581
N2	1.4442		2.4990	2.0687	2.0687	1.0261	1.0261	2.7854	2.7854
N3	1.4442	2.4990		2.0687	2.0687	2.7854	2.7854	1.0261	1.0261
H4	1.1090	2.0687	2.0687		1.7740	2.3995	2.9489	2.9489	2.3995
H5	1.1090	2.0687	2.0687	1.7740		2.9489	2.3995	2.3995	2.9489
H6	2.0581	1.0261	2.7854	2.3995	2.9489		1.6563	3.1533	2.6833
H7	2.0581	1.0261	2.7854	2.9489	2.3995	1.6563		2.6833	3.1533
H8	2.0581	2.7854	1.0261	2.9489	2.3995	3.1533	2.6833		1.6563
H9	2.0581	2.7854	1.0261	2.3995	2.9489	2.6833	3.1533	1.6563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.732	C1	N2	H7	111.732
C1	N3	H8	111.732	C1	N3	H9	111.732
N2	C1	N3	119.812	N2	C1	H4	107.515
N2	C1	H5	107.515	N3	C1	H4	107.515
N3	C1	H5	107.515	H4	C1	H5	106.232
H6	N2	H7	107.630	H8	N3	H9	107.630

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/aug-cc-pVDZ

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	0.669
2	N	0.004
3	N	0.004
4	H	-0.245
5	H	-0.245
6	H	-0.047
7	H	-0.047
8	H	-0.047
9	H	-0.047

<r²>	54.061
(<r²>)^1/2	7.353

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)