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	hartrees
Energy at 0K	-151.160666
Energy at 298.15K	-151.168543
HF Energy	-151.160666
Nuclear repulsion energy	82.041184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3383	3365	3.71
2	A₁	2986	2970	35.93
3	A₁	1626	1618	58.81
4	A₁	1448	1440	0.06
5	A₁	1034	1029	38.29
6	A₁	790	786	6.39
7	A₁	440	438	2.04
8	A₂	3476	3458	0.00
9	A₂	1356	1348	0.00
10	A₂	1038	1033	0.00
11	A₂	264	263	0.00
12	B₁	3475	3456	0.26
13	B₁	3031	3015	29.34
14	B₁	1323	1316	0.07
15	B₁	822	817	0.32
16	B₁	391	389	94.00
17	B₂	3383	3365	0.74
18	B₂	1615	1607	2.23
19	B₂	1353	1346	21.69
20	B₂	995	989	97.99
21	B₂	726	722	466.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.282	-0.185
N3	0.000	-1.282	-0.185
H4	0.889	0.000	1.204
H5	-0.889	0.000	1.204
H6	0.828	1.368	-0.784
H7	-0.828	1.368	-0.784
H8	-0.828	-1.368	-0.784
H9	0.828	-1.368	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4786	1.4786	1.1018	1.1018	2.0840	2.0840	2.0840	2.0840
N2	1.4786		2.5633	2.0882	2.0882	1.0258	1.0258	2.8396	2.8396
N3	1.4786	2.5633		2.0882	2.0882	2.8396	2.8396	1.0258	1.0258
H4	1.1018	2.0882	2.0882		1.7772	2.4141	2.9614	2.9614	2.4141
H5	1.1018	2.0882	2.0882	1.7772		2.9614	2.4141	2.4141	2.9614
H6	2.0840	1.0258	2.8396	2.4141	2.9614		1.6555	3.1971	2.7352
H7	2.0840	1.0258	2.8396	2.9614	2.4141	1.6555		2.7352	3.1971
H8	2.0840	2.8396	1.0258	2.9614	2.4141	3.1971	2.7352		1.6555
H9	2.0840	2.8396	1.0258	2.4141	2.9614	2.7352	3.1971	1.6555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.355	C1	N2	H7	111.355
C1	N3	H8	111.355	C1	N3	H9	111.355
N2	C1	N3	120.179	N2	C1	H4	107.146
N2	C1	H5	107.146	N3	C1	H4	107.146
N3	C1	H5	107.146	H4	C1	H5	107.512
H6	N2	H7	107.596	H8	N3	H9	107.596

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/6-31+G**

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	-0.213
2	N	-0.580
3	N	-0.580
4	H	0.138
5	H	0.138
6	H	0.274
7	H	0.274
8	H	0.274
9	H	0.274

<r²>	55.811
(<r²>)^1/2	7.471

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)