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	hartrees
Energy at 0K	-151.079079
Energy at 298.15K
HF Energy	-151.079079
Nuclear repulsion energy	82.875124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3598	3598	0.09
2	A₁	3114	3114	44.55
3	A₁	1712	1712	53.80
4	A₁	1528	1528	2.41
5	A₁	1097	1097	69.41
6	A₁	680	680	132.73
7	A₁	457	457	9.75
8	A₂	3724	3724	0.00
9	A₂	1421	1421	0.00
10	A₂	1057	1057	0.00
11	A₂	247	247	0.00
12	B₁	3724	3724	4.81
13	B₁	3165	3165	30.37
14	B₁	1361	1361	1.38
15	B₁	847	847	1.53
16	B₁	418	418	92.07
17	B₂	3601	3601	0.49
18	B₂	1702	1702	19.29
19	B₂	1436	1436	7.83
20	B₂	1130	1130	128.92
21	B₂	453	453	611.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.542
N2	0.000	1.252	-0.200
N3	0.000	-1.252	-0.200
H4	0.878	0.000	1.193
H5	-0.878	0.000	1.193
H6	0.844	1.473	-0.709
H7	-0.844	1.473	-0.709
H8	-0.844	-1.473	-0.709
H9	0.844	-1.473	-0.709

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4550	1.4550	1.0927	1.0927	2.1088	2.1088	2.1088	2.1088
N2	1.4550		2.5037	2.0679	2.0679	1.0106	1.0106	2.8975	2.8975
N3	1.4550	2.5037		2.0679	2.0679	2.8975	2.8975	1.0106	1.0106
H4	1.0927	2.0679	2.0679		1.7554	2.4057	2.9583	2.9583	2.4057
H5	1.0927	2.0679	2.0679	1.7554		2.9583	2.4057	2.4057	2.9583
H6	2.1088	1.0106	2.8975	2.4057	2.9583		1.6887	3.3950	2.9452
H7	2.1088	1.0106	2.8975	2.9583	2.4057	1.6887		2.9452	3.3950
H8	2.1088	2.8975	1.0106	2.9583	2.4057	3.3950	2.9452		1.6887
H9	2.1088	2.8975	1.0106	2.4057	2.9583	2.9452	3.3950	1.6887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.417	C1	N2	H7	116.417
C1	N3	H8	116.417	C1	N3	H9	116.417
N2	C1	N3	118.715	N2	C1	H4	107.673
N2	C1	H5	107.673	N3	C1	H4	107.673
N3	C1	H5	107.673	H4	C1	H5	106.884
H6	N2	H7	113.335	H8	N3	H9	113.335

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: M06-2X/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	-0.044
2	N	-0.733
3	N	-0.733
4	H	0.172
5	H	0.172
6	H	0.292
7	H	0.292
8	H	0.292
9	H	0.292

<r²>	54.469
(<r²>)^1/2	7.380

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)