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	hartrees
Energy at 0K	-151.050479
Energy at 298.15K	-151.058511
HF Energy	-151.050479
Nuclear repulsion energy	83.328429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3365	1.64
2	A₁	3080	2940	43.00
3	A₁	1680	1604	41.52
4	A₁	1495	1427	0.35
5	A₁	1118	1067	37.11
6	A₁	874	835	2.13
7	A₁	461	440	5.37
8	A₂	3622	3457	0.00
9	A₂	1409	1344	0.00
10	A₂	1079	1030	0.00
11	A₂	273	261	0.00
12	B₁	3620	3454	0.03
13	B₁	3129	2986	28.46
14	B₁	1380	1317	0.31
15	B₁	852	813	0.15
16	B₁	415	396	103.03
17	B₂	3527	3366	0.10
18	B₂	1671	1595	3.38
19	B₂	1398	1334	21.22
20	B₂	1113	1062	77.19
21	B₂	787	751	443.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.258	-0.182
N3	0.000	-1.258	-0.182
H4	0.878	0.000	1.202
H5	-0.878	0.000	1.202
H6	0.815	1.316	-0.786
H7	-0.815	1.316	-0.786
H8	-0.815	-1.316	-0.786
H9	0.815	-1.316	-0.786

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4537	1.4537	1.0953	1.0953	2.0424	2.0424	2.0424	2.0424
N2	1.4537		2.5151	2.0660	2.0660	1.0155	1.0155	2.7658	2.7658
N3	1.4537	2.5151		2.0660	2.0660	2.7658	2.7658	1.0155	1.0155
H4	1.0953	2.0660	2.0660		1.7559	2.3847	2.9236	2.9236	2.3847
H5	1.0953	2.0660	2.0660	1.7559		2.9236	2.3847	2.3847	2.9236
H6	2.0424	1.0155	2.7658	2.3847	2.9236		1.6292	3.0950	2.6315
H7	2.0424	1.0155	2.7658	2.9236	2.3847	1.6292		2.6315	3.0950
H8	2.0424	2.7658	1.0155	2.9236	2.3847	3.0950	2.6315		1.6292
H9	2.0424	2.7658	1.0155	2.3847	2.9236	2.6315	3.0950	1.6292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.352	C1	N2	H7	110.352
C1	N3	H8	110.352	C1	N3	H9	110.352
N2	C1	N3	119.777	N2	C1	H4	107.455
N2	C1	H5	107.455	N3	C1	H4	107.455
N3	C1	H5	107.455	H4	C1	H5	106.560
H6	N2	H7	106.669	H8	N3	H9	106.669

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/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	-0.036
2	N	-0.614
3	N	-0.614
4	H	0.143
5	H	0.143
6	H	0.244
7	H	0.244
8	H	0.244
9	H	0.244

<r²>	53.408
(<r²>)^1/2	7.308

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)