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	hartrees
Energy at 0K	-149.703712
Energy at 298.15K	-149.711746
HF Energy	-149.401657
Nuclear repulsion energy	82.087572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3485	3246	4.10
2	A₁	3135	2921	37.91
3	A₁	1789	1667	36.27
4	A₁	1582	1474	0.87
5	A₁	1110	1034	66.05
6	A₁	803	748	8.86
7	A₁	453	422	5.01
8	A₂	3579	3334	0.00
9	A₂	1461	1361	0.00
10	A₂	1114	1037	0.00
11	A₂	294	273	0.00
12	B₁	3579	3334	2.83
13	B₁	3180	2963	27.69
14	B₁	1420	1323	0.14
15	B₁	857	798	0.08
16	B₁	431	401	122.65
17	B₂	3483	3244	1.02
18	B₂	1777	1656	1.11
19	B₂	1450	1351	6.91
20	B₂	1072	998	20.71
21	B₂	709	661	559.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.560
N2	0.000	1.278	-0.192
N3	0.000	-1.278	-0.192
H4	0.883	0.000	1.202
H5	-0.883	0.000	1.202
H6	0.834	1.385	-0.768
H7	-0.834	1.385	-0.768
H8	-0.834	-1.385	-0.768
H9	0.834	-1.385	-0.768

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4830	1.4830	1.0910	1.0910	2.0928	2.0928	2.0928	2.0928
N2	1.4830		2.5556	2.0869	2.0869	1.0190	1.0190	2.8495	2.8495
N3	1.4830	2.5556		2.0869	2.0869	2.8495	2.8495	1.0190	1.0190
H4	1.0910	2.0869	2.0869		1.7650	2.4089	2.9573	2.9573	2.4089
H5	1.0910	2.0869	2.0869	1.7650		2.9573	2.4089	2.4089	2.9573
H6	2.0928	1.0190	2.8495	2.4089	2.9573		1.6675	3.2339	2.7708
H7	2.0928	1.0190	2.8495	2.9573	2.4089	1.6675		2.7708	3.2339
H8	2.0928	2.8495	1.0190	2.9573	2.4089	3.2339	2.7708		1.6675
H9	2.0928	2.8495	1.0190	2.4089	2.9573	2.7708	3.2339	1.6675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.199	C1	N2	H7	112.199
C1	N3	H8	112.199	C1	N3	H9	112.199
N2	C1	N3	119.006	N2	C1	H4	107.360
N2	C1	H5	107.360	N3	C1	H4	107.360
N3	C1	H5	107.360	H4	C1	H5	107.979
H6	N2	H7	109.801	H8	N3	H9	109.801

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)