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	hartrees
Energy at 0K	-150.365319
Energy at 298.15K	-150.373191
HF Energy	-150.365319
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.010087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3384	3256	9.29
2	A₁	3077	2960	39.56
3	A₁	1727	1662	29.34
4	A₁	1528	1469	1.84
5	A₁	1059	1019	50.70
6	A₁	726	698	13.73
7	A₁	439	422	3.53
8	A₂	3483	3350	0.00
9	A₂	1425	1371	0.00
10	A₂	1088	1046	0.00
11	A₂	278	267	0.00
12	B₁	3484	3351	5.31
13	B₁	3122	3004	26.57
14	B₁	1372	1320	0.51
15	B₁	834	802	0.04
16	B₁	432	415	113.29
17	B₂	3384	3255	1.79
18	B₂	1714	1649	1.41
19	B₂	1409	1355	5.19
20	B₂	1030	991	33.08
21	B₂	593	571	580.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.280	-0.189
N3	0.000	-1.280	-0.189
H4	0.884	0.000	1.198
H5	-0.884	0.000	1.198
H6	0.838	1.393	-0.769
H7	-0.838	1.393	-0.769
H8	-0.838	-1.393	-0.769
H9	0.838	-1.393	-0.769

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4797	1.4797	1.0933	1.0933	2.0957	2.0957	2.0957	2.0957
N2	1.4797		2.5600	2.0835	2.0835	1.0253	1.0253	2.8611	2.8611
N3	1.4797	2.5600		2.0835	2.0835	2.8611	2.8611	1.0253	1.0253
H4	1.0933	2.0835	2.0835		1.7670	2.4104	2.9616	2.9616	2.4104
H5	1.0933	2.0835	2.0835	1.7670		2.9616	2.4104	2.4104	2.9616
H6	2.0957	1.0253	2.8611	2.4104	2.9616		1.6756	3.2519	2.7869
H7	2.0957	1.0253	2.8611	2.9616	2.4104	1.6756		2.7869	3.2519
H8	2.0957	2.8611	1.0253	2.9616	2.4104	3.2519	2.7869		1.6756
H9	2.0957	2.8611	1.0253	2.4104	2.9616	2.7869	3.2519	1.6756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.306	C1	N2	H7	112.306
C1	N3	H8	112.306	C1	N3	H9	112.306
N2	C1	N3	119.776	N2	C1	H4	107.188
N2	C1	H5	107.188	N3	C1	H4	107.188
N3	C1	H5	107.188	H4	C1	H5	107.824
H6	N2	H7	109.606	H8	N3	H9	109.606

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B3LYP/3-21G*

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	-0.121
2	N	-0.656
3	N	-0.656
4	H	0.213
5	H	0.213
6	H	0.252
7	H	0.252
8	H	0.252
9	H	0.252

<r²>	55.018
(<r²>)^1/2	7.417

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)