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	hartrees
Energy at 0K	-151.186659
Energy at 298.15K	-151.194694
HF Energy	-151.186659
Nuclear repulsion energy	83.172526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3499	3368	5.43
2	A₁	3064	2950	46.19
3	A₁	1720	1656	62.79
4	A₁	1493	1437	1.24
5	A₁	1113	1071	39.49
6	A₁	876	843	2.50
7	A₁	460	443	4.44
8	A₂	3583	3450	0.00
9	A₂	1415	1362	0.00
10	A₂	1088	1048	0.00
11	A₂	269	259	0.00
12	B₁	3582	3449	1.79
13	B₁	3106	2991	33.12
14	B₁	1388	1336	0.69
15	B₁	853	821	0.38
16	B₁	417	401	103.15
17	B₂	3500	3369	0.27
18	B₂	1708	1645	2.38
19	B₂	1399	1347	21.05
20	B₂	1088	1048	78.40
21	B₂	795	766	484.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.261	-0.183
N3	0.000	-1.261	-0.183
H4	0.876	0.000	1.202
H5	-0.876	0.000	1.202
H6	0.816	1.328	-0.782
H7	-0.816	1.328	-0.782
H8	-0.816	-1.328	-0.782
H9	0.816	-1.328	-0.782

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4574	1.4574	1.0938	1.0938	2.0489	2.0489	2.0489	2.0489
N2	1.4574		2.5229	2.0679	2.0679	1.0149	1.0149	2.7808	2.7808
N3	1.4574	2.5229		2.0679	2.0679	2.7808	2.7808	1.0149	1.0149
H4	1.0938	2.0679	2.0679		1.7526	2.3884	2.9266	2.9266	2.3884
H5	1.0938	2.0679	2.0679	1.7526		2.9266	2.3884	2.3884	2.9266
H6	2.0489	1.0149	2.7808	2.3884	2.9266		1.6322	3.1181	2.6568
H7	2.0489	1.0149	2.7808	2.9266	2.3884	1.6322		2.6568	3.1181
H8	2.0489	2.7808	1.0149	2.9266	2.3884	3.1181	2.6568		1.6322
H9	2.0489	2.7808	1.0149	2.3884	2.9266	2.6568	3.1181	1.6322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.668	C1	N2	H7	110.668
C1	N3	H8	110.668	C1	N3	H9	110.668
N2	C1	N3	119.887	N2	C1	H4	107.442
N2	C1	H5	107.442	N3	C1	H4	107.442
N3	C1	H5	107.442	H4	C1	H5	106.483
H6	N2	H7	107.058	H8	N3	H9	107.058

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3PW91/6-311G*

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	-0.203
2	N	-0.735
3	N	-0.735
4	H	0.229
5	H	0.229
6	H	0.304
7	H	0.304
8	H	0.304
9	H	0.304

<r²>	53.842
(<r²>)^1/2	7.338

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)