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	hartrees
Energy at 0K	-151.109328
Energy at 298.15K	-151.117285
HF Energy	-151.109328
Nuclear repulsion energy	83.444331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3391	0.66
2	A₁	3063	2946	32.60
3	A₁	1663	1599	44.09
4	A₁	1484	1427	0.45
5	A₁	1095	1053	35.81
6	A₁	839	807	6.35
7	A₁	458	441	1.41
8	A₂	3613	3475	0.00
9	A₂	1398	1345	0.00
10	A₂	1071	1030	0.00
11	A₂	251	241	0.00
12	B₁	3611	3473	3.99
13	B₁	3105	2987	22.32
14	B₁	1367	1315	0.29
15	B₁	846	813	0.07
16	B₁	378	363	78.53
17	B₂	3527	3392	3.52
18	B₂	1652	1589	8.59
19	B₂	1387	1334	17.11
20	B₂	1096	1054	93.30
21	B₂	762	733	382.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.254	-0.184
N3	0.000	-1.254	-0.184
H4	0.876	0.000	1.199
H5	-0.876	0.000	1.199
H6	0.816	1.336	-0.776
H7	-0.816	1.336	-0.776
H8	-0.816	-1.336	-0.776
H9	0.816	-1.336	-0.776

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4513	1.4513	1.0918	1.0918	2.0495	2.0495	2.0495	2.0495
N2	1.4513		2.5075	2.0618	2.0618	1.0116	1.0116	2.7787	2.7787
N3	1.4513	2.5075		2.0618	2.0618	2.7787	2.7787	1.0116	1.0116
H4	1.0918	2.0618	2.0618		1.7521	2.3849	2.9235	2.9235	2.3849
H5	1.0918	2.0618	2.0618	1.7521		2.9235	2.3849	2.3849	2.9235
H6	2.0495	1.0116	2.7787	2.3849	2.9235		1.6319	3.1301	2.6710
H7	2.0495	1.0116	2.7787	2.9235	2.3849	1.6319		2.6710	3.1301
H8	2.0495	2.7787	1.0116	2.9235	2.3849	3.1301	2.6710		1.6319
H9	2.0495	2.7787	1.0116	2.3849	2.9235	2.6710	3.1301	1.6319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.392	C1	N2	H7	111.392
C1	N3	H8	111.392	C1	N3	H9	111.392
N2	C1	N3	119.515	N2	C1	H4	107.494
N2	C1	H5	107.494	N3	C1	H4	107.494
N3	C1	H5	107.494	H4	C1	H5	106.713
H6	N2	H7	107.527	H8	N3	H9	107.527

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	0.061
2	N	-0.434
3	N	-0.434
4	H	0.278
5	H	0.278
6	H	0.063
7	H	0.063
8	H	0.063
9	H	0.063

<r²>	53.777
(<r²>)^1/2	7.333

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)