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	hartrees
Energy at 0K	-151.086555
Energy at 298.15K	-151.094257
HF Energy	-151.086555
Nuclear repulsion energy	81.718762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3392	3366	8.97
2	A₁	2995	2972	49.65
3	A₁	1667	1654	34.59
4	A₁	1472	1461	0.96
5	A₁	1020	1012	56.57
6	A₁	658	653	53.51
7	A₁	437	434	0.00
8	A₂	3509	3483	0.00
9	A₂	1371	1360	0.00
10	A₂	1039	1031	0.00
11	A₂	258	256	0.00
12	B₁	3510	3484	3.27
13	B₁	3045	3022	34.57
14	B₁	1324	1314	0.03
15	B₁	819	813	0.55
16	B₁	415	412	96.14
17	B₂	3392	3366	0.77
18	B₂	1656	1643	4.32
19	B₂	1380	1370	8.78
20	B₂	1000	993	92.62
21	B₂	500	496	603.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.281	-0.194
N3	0.000	-1.281	-0.194
H4	0.889	0.000	1.200
H5	-0.889	0.000	1.200
H6	0.846	1.454	-0.745
H7	-0.846	1.454	-0.745
H8	-0.846	-1.454	-0.745
H9	0.846	-1.454	-0.745

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4801	1.4801	1.1021	1.1021	2.1219	2.1219	2.1219	2.1219
N2	1.4801		2.5613	2.0910	2.0910	1.0244	1.0244	2.9151	2.9151
N3	1.4801	2.5613		2.0910	2.0910	2.9151	2.9151	1.0244	1.0244
H4	1.1021	2.0910	2.0910		1.7773	2.4290	2.9843	2.9843	2.4290
H5	1.1021	2.0910	2.0910	1.7773		2.9843	2.4290	2.4290	2.9843
H6	2.1219	1.0244	2.9151	2.4290	2.9843		1.6915	3.3642	2.9081
H7	2.1219	1.0244	2.9151	2.9843	2.4290	1.6915		2.9081	3.3642
H8	2.1219	2.9151	1.0244	2.9843	2.4290	3.3642	2.9081		1.6915
H9	2.1219	2.9151	1.0244	2.4290	2.9843	2.9081	3.3642	1.6915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.601	C1	N2	H7	114.601
C1	N3	H8	114.601	C1	N3	H9	114.601
N2	C1	N3	119.828	N2	C1	H4	107.247
N2	C1	H5	107.247	N3	C1	H4	107.247
N3	C1	H5	107.247	H4	C1	H5	107.482
H6	N2	H7	111.294	H8	N3	H9	111.294

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/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	-0.040
2	N	-0.616
3	N	-0.616
4	H	0.139
5	H	0.139
6	H	0.248
7	H	0.248
8	H	0.248
9	H	0.248

<r²>	55.774
(<r²>)^1/2	7.468

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)