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	hartrees
Energy at 0K	-151.224090
Energy at 298.15K	-151.232075
HF Energy	-151.224090
Nuclear repulsion energy	82.898125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3453	3332	3.35
2	A₁	3052	2946	42.82
3	A₁	1674	1616	29.91
4	A₁	1498	1446	0.01
5	A₁	1114	1075	27.48
6	A₁	862	832	0.08
7	A₁	443	427	5.38
8	A₂	3535	3411	0.00
9	A₂	1403	1354	0.00
10	A₂	1069	1032	0.00
11	A₂	263	254	0.00
12	B₁	3534	3410	1.17
13	B₁	3098	2989	28.24
14	B₁	1376	1328	0.50
15	B₁	842	813	0.33
16	B₁	392	378	83.63
17	B₂	3453	3332	0.22
18	B₂	1664	1605	0.98
19	B₂	1389	1340	22.16
20	B₂	1065	1027	47.65
21	B₂	820	792	399.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
N2	0.000	1.285	-0.179
N3	0.000	-1.285	-0.179
H4	0.884	0.000	1.184
H5	-0.884	0.000	1.184
H6	0.818	1.351	-0.775
H7	-0.818	1.351	-0.775
H8	-0.818	-1.351	-0.775
H9	0.818	-1.351	-0.775

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4735	1.4735	1.0926	1.0926	2.0559	2.0559	2.0559	2.0559
N2	1.4735		2.5707	2.0715	2.0715	1.0142	1.0142	2.8240	2.8240
N3	1.4735	2.5707		2.0715	2.0715	2.8240	2.8240	1.0142	1.0142
H4	1.0926	2.0715	2.0715		1.7675	2.3803	2.9255	2.9255	2.3803
H5	1.0926	2.0715	2.0715	1.7675		2.9255	2.3803	2.3803	2.9255
H6	2.0559	1.0142	2.8240	2.3803	2.9255		1.6366	3.1590	2.7020
H7	2.0559	1.0142	2.8240	2.9255	2.3803	1.6366		2.7020	3.1590
H8	2.0559	2.8240	1.0142	2.9255	2.3803	3.1590	2.7020		1.6366
H9	2.0559	2.8240	1.0142	2.3803	2.9255	2.7020	3.1590	1.6366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.098	C1	N2	H7	110.098
C1	N3	H8	110.098	C1	N3	H9	110.098
N2	C1	N3	121.455	N2	C1	H4	106.711
N2	C1	H5	106.711	N3	C1	H4	106.711
N3	C1	H5	106.711	H4	C1	H5	107.960
H6	N2	H7	107.572	H8	N3	H9	107.572

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: TPSSh/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)