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	hartrees
Energy at 0K	-151.206444
Energy at 298.15K	-151.214339
HF Energy	-151.206444
Nuclear repulsion energy	82.328668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	3354	6.28
2	A₁	2971	2962	38.69
3	A₁	1624	1619	34.03
4	A₁	1450	1446	0.03
5	A₁	1056	1052	30.28
6	A₁	805	803	0.25
7	A₁	439	437	3.36
8	A₂	3444	3433	0.00
9	A₂	1358	1354	0.00
10	A₂	1050	1046	0.00
11	A₂	249	248	0.00
12	B₁	3442	3432	0.87
13	B₁	3005	2996	27.36
14	B₁	1333	1329	0.55
15	B₁	827	824	0.14
16	B₁	385	384	73.93
17	B₂	3364	3354	0.29
18	B₂	1612	1607	1.41
19	B₂	1350	1346	15.19
20	B₂	994	991	40.97
21	B₂	761	759	449.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.279	-0.183
N3	0.000	-1.279	-0.183
H4	0.883	0.000	1.205
H5	-0.883	0.000	1.205
H6	0.820	1.340	-0.791
H7	-0.820	1.340	-0.791
H8	-0.820	-1.340	-0.791
H9	0.820	-1.340	-0.791

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4763	1.4763	1.0970	1.0970	2.0679	2.0679	2.0679	2.0679
N2	1.4763		2.5580	2.0839	2.0839	1.0222	1.0222	2.8107	2.8107
N3	1.4763	2.5580		2.0839	2.0839	2.8107	2.8107	1.0222	1.0222
H4	1.0970	2.0839	2.0839		1.7665	2.4046	2.9459	2.9459	2.4046
H5	1.0970	2.0839	2.0839	1.7665		2.9459	2.4046	2.4046	2.9459
H6	2.0679	1.0222	2.8107	2.4046	2.9459		1.6395	3.1415	2.6798
H7	2.0679	1.0222	2.8107	2.9459	2.4046	1.6395		2.6798	3.1415
H8	2.0679	2.8107	1.0222	2.9459	2.4046	3.1415	2.6798		1.6395
H9	2.0679	2.8107	1.0222	2.4046	2.9459	2.6798	3.1415	1.6395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.396	C1	N2	H7	110.396
C1	N3	H8	110.396	C1	N3	H9	110.396
N2	C1	N3	120.077	N2	C1	H4	107.231
N2	C1	H5	107.231	N3	C1	H4	107.231
N3	C1	H5	107.231	H4	C1	H5	107.240
H6	N2	H7	106.624	H8	N3	H9	106.624

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/cc-pVTZ

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	-0.030
2	N	-0.292
3	N	-0.292
4	H	0.088
5	H	0.088
6	H	0.110
7	H	0.110
8	H	0.110
9	H	0.110

<r²>	54.976
(<r²>)^1/2	7.415

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)