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	hartrees
Energy at 0K	-28.333248
Energy at 298.15K	-28.341394
HF Energy	-28.333248
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	50.592170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3710	3351	1.38
2	A₁	3234	2922	64.43
3	A₁	1842	1664	70.14
4	A₁	1624	1467	0.01
5	A₁	1178	1064	57.85
6	A₁	968	874	0.53
7	A₁	487	440	5.53
8	A₂	3793	3427	0.00
9	A₂	1517	1370	0.00
10	A₂	1145	1035	0.00
11	A₂	267	241	0.00
12	B₁	3794	3427	0.49
13	B₁	3281	2964	54.78
14	B₁	1491	1347	0.03
15	B₁	913	824	2.46
16	B₁	399	360	114.08
17	B₂	3711	3352	0.01
18	B₂	1835	1658	9.48
19	B₂	1519	1373	49.07
20	B₂	1168	1055	135.40
21	B₂	896	810	418.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.256	-0.188
N3	0.000	-1.256	-0.188
H4	0.874	0.000	1.201
H5	-0.874	0.000	1.201
H6	0.809	1.321	-0.780
H7	-0.809	1.321	-0.780
H8	-0.809	-1.321	-0.780
H9	0.809	-1.321	-0.780

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4612	1.4612	1.0846	1.0846	2.0472	2.0472	2.0472	2.0472
N2	1.4612		2.5123	2.0668	2.0668	1.0041	1.0041	2.7655	2.7655
N3	1.4612	2.5123		2.0668	2.0668	2.7655	2.7655	1.0041	1.0041
H4	1.0846	2.0668	2.0668		1.7471	2.3824	2.9157	2.9157	2.3824
H5	1.0846	2.0668	2.0668	1.7471		2.9157	2.3824	2.3824	2.9157
H6	2.0472	1.0041	2.7655	2.3824	2.9157		1.6172	3.0985	2.6430
H7	2.0472	1.0041	2.7655	2.9157	2.3824	1.6172		2.6430	3.0985
H8	2.0472	2.7655	1.0041	2.9157	2.3824	3.0985	2.6430		1.6172
H9	2.0472	2.7655	1.0041	2.3824	2.9157	2.6430	3.0985	1.6172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.918	C1	N2	H7	110.918
C1	N3	H8	110.918	C1	N3	H9	110.918
N2	C1	N3	118.551	N2	C1	H4	107.629
N2	C1	H5	107.629	N3	C1	H4	107.629
N3	C1	H5	107.629	H4	C1	H5	107.292
H6	N2	H7	107.275	H8	N3	H9	107.275

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/CEP-121G*

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	-0.133
2	N	-0.717
3	N	-0.717
4	H	0.170
5	H	0.170
6	H	0.306
7	H	0.306
8	H	0.306
9	H	0.306

<r²>	46.657
(<r²>)^1/2	6.831

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)