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	hartrees
Energy at 0K	-150.730375
Energy at 298.15K	-150.738482
HF Energy	-150.235314
Nuclear repulsion energy	82.952370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3476	3282	2.87
2	A₁	3098	2925	38.47
3	A₁	1732	1635	48.70
4	A₁	1544	1458	0.11
5	A₁	1158	1093	35.57
6	A₁	917	866	0.02
7	A₁	466	440	7.82
8	A₂	3567	3368	0.00
9	A₂	1429	1349	0.00
10	A₂	1100	1039	0.00
11	A₂	291	275	0.00
12	B₁	3565	3367	1.25
13	B₁	3147	2972	28.85
14	B₁	1417	1338	0.41
15	B₁	870	822	1.03
16	B₁	416	393	113.86
17	B₂	3476	3282	0.05
18	B₂	1722	1626	1.51
19	B₂	1425	1345	23.71
20	B₂	1129	1066	57.72
21	B₂	868	820	435.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.262	-0.184
N3	0.000	-1.262	-0.184
H4	0.882	0.000	1.208
H5	-0.882	0.000	1.208
H6	0.817	1.304	-0.795
H7	-0.817	1.304	-0.795
H8	-0.817	-1.304	-0.795
H9	0.817	-1.304	-0.795

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4639	1.4639	1.0959	1.0959	2.0488	2.0488	2.0488	2.0488
N2	1.4639		2.5240	2.0757	2.0757	1.0211	1.0211	2.7612	2.7612
N3	1.4639	2.5240		2.0757	2.0757	2.7612	2.7612	1.0211	1.0211
H4	1.0959	2.0757	2.0757		1.7646	2.3908	2.9324	2.9324	2.3908
H5	1.0959	2.0757	2.0757	1.7646		2.9324	2.3908	2.3908	2.9324
H6	2.0488	1.0211	2.7612	2.3908	2.9324		1.6340	3.0773	2.6076
H7	2.0488	1.0211	2.7612	2.9324	2.3908	1.6340		2.6076	3.0773
H8	2.0488	2.7612	1.0211	2.9324	2.3908	3.0773	2.6076		1.6340
H9	2.0488	2.7612	1.0211	2.3908	2.9324	2.6076	3.0773	1.6340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.788	C1	N2	H7	109.788
C1	N3	H8	109.788	C1	N3	H9	109.788
N2	C1	N3	119.108	N2	C1	H4	107.493
N2	C1	H5	107.493	N3	C1	H4	107.493
N3	C1	H5	107.493	H4	C1	H5	107.229
H6	N2	H7	106.286	H8	N3	H9	106.286

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)