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	hartrees
Energy at 0K	-151.167781
Energy at 298.15K	-151.175848
HF Energy	-151.167781
Nuclear repulsion energy	83.238475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3524	3524	1.52
2	A₁	3112	3112	37.00
3	A₁	1724	1724	68.99
4	A₁	1512	1512	0.90
5	A₁	1126	1126	41.07
6	A₁	894	894	2.28
7	A₁	464	464	4.79
8	A₂	3609	3609	0.00
9	A₂	1426	1426	0.00
10	A₂	1091	1091	0.00
11	A₂	275	275	0.00
12	B₁	3608	3608	0.00
13	B₁	3156	3156	26.69
14	B₁	1393	1393	0.61
15	B₁	867	867	0.81
16	B₁	418	418	106.67
17	B₂	3526	3526	0.00
18	B₂	1713	1713	2.96
19	B₂	1417	1417	24.01
20	B₂	1112	1112	89.27
21	B₂	804	804	466.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.258	-0.185
N3	0.000	-1.258	-0.185
H4	0.877	0.000	1.203
H5	-0.877	0.000	1.203
H6	0.816	1.316	-0.785
H7	-0.816	1.316	-0.785
H8	-0.816	-1.316	-0.785
H9	0.816	-1.316	-0.785

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4582	1.4582	1.0916	1.0916	2.0468	2.0468	2.0468	2.0468
N2	1.4582		2.5156	2.0682	2.0682	1.0148	1.0148	2.7663	2.7663
N3	1.4582	2.5156		2.0682	2.0682	2.7663	2.7663	1.0148	1.0148
H4	1.0916	2.0682	2.0682		1.7535	2.3854	2.9244	2.9244	2.3854
H5	1.0916	2.0682	2.0682	1.7535		2.9244	2.3854	2.3854	2.9244
H6	2.0468	1.0148	2.7663	2.3854	2.9244		1.6323	3.0976	2.6326
H7	2.0468	1.0148	2.7663	2.9244	2.3854	1.6323		2.6326	3.0976
H8	2.0468	2.7663	1.0148	2.9244	2.3854	3.0976	2.6326		1.6323
H9	2.0468	2.7663	1.0148	2.3854	2.9244	2.6326	3.0976	1.6323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.427	C1	N2	H7	110.427
C1	N3	H8	110.427	C1	N3	H9	110.427
N2	C1	N3	119.208	N2	C1	H4	107.543
N2	C1	H5	107.543	N3	C1	H4	107.543
N3	C1	H5	107.543	H4	C1	H5	106.872
H6	N2	H7	107.071	H8	N3	H9	107.071

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: M06-2X/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	-0.220
2	N	-0.745
3	N	-0.745
4	H	0.239
5	H	0.239
6	H	0.308
7	H	0.308
8	H	0.308
9	H	0.308

<r²>	53.783
(<r²>)^1/2	7.334

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)