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	hartrees
Energy at 0K	-151.139970
Energy at 298.15K	-151.147933
HF Energy	-151.139970
Nuclear repulsion energy	82.069130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3314	12.82
2	A₁	2954	2959	45.89
3	A₁	1609	1611	21.22
4	A₁	1417	1419	0.01
5	A₁	1076	1077	21.66
6	A₁	834	835	0.29
7	A₁	434	434	6.01
8	A₂	3384	3390	0.00
9	A₂	1352	1354	0.00
10	A₂	1056	1058	0.00
11	A₂	271	272	0.00
12	B₁	3383	3388	7.90
13	B₁	2996	3001	31.26
14	B₁	1330	1332	1.76
15	B₁	829	830	0.24
16	B₁	407	407	74.42
17	B₂	3308	3314	0.46
18	B₂	1599	1602	0.12
19	B₂	1338	1340	25.04
20	B₂	1022	1023	39.55
21	B₂	798	800	395.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.282	-0.180
N3	0.000	-1.282	-0.180
H4	0.893	0.000	1.217
H5	-0.893	0.000	1.217
H6	0.819	1.308	-0.811
H7	-0.819	1.308	-0.811
H8	-0.819	-1.308	-0.811
H9	0.819	-1.308	-0.811

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4781	1.4781	1.1105	1.1105	2.0616	2.0616	2.0616	2.0616
N2	1.4781		2.5632	2.0954	2.0954	1.0338	1.0338	2.7884	2.7884
N3	1.4781	2.5632		2.0954	2.0954	2.7884	2.7884	1.0338	1.0338
H4	1.1105	2.0954	2.0954		1.7853	2.4141	2.9582	2.9582	2.4141
H5	1.1105	2.0954	2.0954	1.7853		2.9582	2.4141	2.4141	2.9582
H6	2.0616	1.0338	2.7884	2.4141	2.9582		1.6374	3.0865	2.6164
H7	2.0616	1.0338	2.7884	2.9582	2.4141	1.6374		2.6164	3.0865
H8	2.0616	2.7884	1.0338	2.9582	2.4141	3.0865	2.6164		1.6374
H9	2.0616	2.7884	1.0338	2.4141	2.9582	2.6164	3.0865	1.6374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.041	C1	N2	H7	109.041
C1	N3	H8	109.041	C1	N3	H9	109.041
N2	C1	N3	120.239	N2	C1	H4	107.239
N2	C1	H5	107.239	N3	C1	H4	107.239
N3	C1	H5	107.239	H4	C1	H5	106.995
H6	N2	H7	104.738	H8	N3	H9	104.738

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/cc-pVDZ

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	0.045
2	N	-0.134
3	N	-0.134
4	H	0.016
5	H	0.016
6	H	0.048
7	H	0.048
8	H	0.048
9	H	0.048

<r²>	54.700
(<r²>)^1/2	7.396

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)