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	hartrees
Energy at 0K	-149.705739
Energy at 298.15K	-149.713759
HF Energy	-149.401537
Nuclear repulsion energy	82.024238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3475	3247	4.27
2	A₁	3130	2925	38.15
3	A₁	1786	1668	35.58
4	A₁	1580	1476	0.84
5	A₁	1107	1035	65.47
6	A₁	800	748	8.23
7	A₁	451	422	5.11
8	A₂	3568	3334	0.00
9	A₂	1459	1363	0.00
10	A₂	1111	1038	0.00
11	A₂	294	275	0.00
12	B₁	3569	3335	3.05
13	B₁	3175	2967	27.90
14	B₁	1417	1324	0.15
15	B₁	855	799	0.09
16	B₁	432	403	122.28
17	B₂	3472	3245	1.09
18	B₂	1773	1657	0.96
19	B₂	1448	1353	7.07
20	B₂	1065	995	19.89
21	B₂	707	661	563.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.561
N2	0.000	1.279	-0.192
N3	0.000	-1.279	-0.192
H4	0.883	0.000	1.202
H5	-0.883	0.000	1.202
H6	0.834	1.386	-0.769
H7	-0.834	1.386	-0.769
H8	-0.834	-1.386	-0.769
H9	0.834	-1.386	-0.769

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4844	1.4844	1.0912	1.0912	2.0939	2.0939	2.0939	2.0939
N2	1.4844		2.5587	2.0879	2.0879	1.0196	1.0196	2.8518	2.8518
N3	1.4844	2.5587		2.0879	2.0879	2.8518	2.8518	1.0196	1.0196
H4	1.0912	2.0879	2.0879		1.7660	2.4098	2.9585	2.9585	2.4098
H5	1.0912	2.0879	2.0879	1.7660		2.9585	2.4098	2.4098	2.9585
H6	2.0939	1.0196	2.8518	2.4098	2.9585		1.6681	3.2354	2.7722
H7	2.0939	1.0196	2.8518	2.9585	2.4098	1.6681		2.7722	3.2354
H8	2.0939	2.8518	1.0196	2.9585	2.4098	3.2354	2.7722		1.6681
H9	2.0939	2.8518	1.0196	2.4098	2.9585	2.7722	3.2354	1.6681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.152	C1	N2	H7	112.152
C1	N3	H8	112.152	C1	N3	H9	112.152
N2	C1	N3	119.054	N2	C1	H4	107.334
N2	C1	H5	107.334	N3	C1	H4	107.334
N3	C1	H5	107.334	H4	C1	H5	108.039
H6	N2	H7	109.768	H8	N3	H9	109.768

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)