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	hartrees
Energy at 0K	-151.185110
Energy at 298.15K	-151.193127
HF Energy	-151.185110
Nuclear repulsion energy	83.399423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3531	3371	0.50
2	A₁	3073	2934	40.66
3	A₁	1676	1600	36.64
4	A₁	1490	1423	0.23
5	A₁	1124	1073	32.03
6	A₁	877	837	0.54
7	A₁	459	438	4.35
8	A₂	3618	3455	0.00
9	A₂	1408	1344	0.00
10	A₂	1080	1032	0.00
11	A₂	263	251	0.00
12	B₁	3617	3453	0.27
13	B₁	3120	2979	24.73
14	B₁	1382	1319	0.30
15	B₁	853	815	0.13
16	B₁	397	379	86.02
17	B₂	3531	3371	0.00
18	B₂	1666	1590	3.14
19	B₂	1395	1332	20.22
20	B₂	1109	1059	63.84
21	B₂	809	772	397.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.550
N2	0.000	1.256	-0.183
N3	0.000	-1.256	-0.183
H4	0.878	0.000	1.204
H5	-0.878	0.000	1.204
H6	0.811	1.306	-0.788
H7	-0.811	1.306	-0.788
H8	-0.811	-1.306	-0.788
H9	0.811	-1.306	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4544	1.4544	1.0943	1.0943	2.0382	2.0382	2.0382	2.0382
N2	1.4544		2.5126	2.0665	2.0665	1.0136	1.0136	2.7547	2.7547
N3	1.4544	2.5126		2.0665	2.0665	2.7547	2.7547	1.0136	1.0136
H4	1.0943	2.0665	2.0665		1.7558	2.3825	2.9198	2.9198	2.3825
H5	1.0943	2.0665	2.0665	1.7558		2.9198	2.3825	2.3825	2.9198
H6	2.0382	1.0136	2.7547	2.3825	2.9198		1.6226	3.0743	2.6112
H7	2.0382	1.0136	2.7547	2.9198	2.3825	1.6226		2.6112	3.0743
H8	2.0382	2.7547	1.0136	2.9198	2.3825	3.0743	2.6112		1.6226
H9	2.0382	2.7547	1.0136	2.3825	2.9198	2.6112	3.0743	1.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.065	C1	N2	H7	110.065
C1	N3	H8	110.065	C1	N3	H9	110.065
N2	C1	N3	119.484	N2	C1	H4	107.508
N2	C1	H5	107.508	N3	C1	H4	107.508
N3	C1	H5	107.508	H4	C1	H5	106.685
H6	N2	H7	106.339	H8	N3	H9	106.339

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.137
2	N	-0.550
3	N	-0.550
4	H	0.142
5	H	0.142
6	H	0.239
7	H	0.239
8	H	0.239
9	H	0.239

<r²>	53.169
(<r²>)^1/2	7.292

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)