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	hartrees
Energy at 0K	-150.828187
Energy at 298.15K	-150.836166
HF Energy	-150.271858
Nuclear repulsion energy	82.655774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3488	3360	1.78
2	A₁	3072	2960	33.55
3	A₁	1664	1603	39.57
4	A₁	1489	1435	0.07
5	A₁	1106	1065	33.35
6	A₁	866	834	1.21
7	A₁	452	436	3.04
8	A₂	3577	3446	0.00
9	A₂	1398	1347	0.00
10	A₂	1074	1035	0.00
11	A₂	251	242	0.00
12	B₁	3576	3445	0.60
13	B₁	3119	3005	26.13
14	B₁	1373	1323	0.51
15	B₁	852	821	1.00
16	B₁	375	361	82.91
17	B₂	3488	3360	3.23
18	B₂	1656	1596	6.41
19	B₂	1390	1339	22.43
20	B₂	1107	1067	78.68
21	B₂	810	780	339.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.266	-0.186
N3	0.000	-1.266	-0.186
H4	0.888	0.000	1.212
H5	-0.888	0.000	1.212
H6	0.819	1.321	-0.794
H7	-0.819	1.321	-0.794
H8	-0.819	-1.321	-0.794
H9	0.819	-1.321	-0.794

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4687	1.4687	1.1026	1.1026	2.0599	2.0599	2.0599	2.0599
N2	1.4687		2.5327	2.0846	2.0846	1.0214	1.0214	2.7807	2.7807
N3	1.4687	2.5327		2.0846	2.0846	2.7807	2.7807	1.0214	1.0214
H4	1.1026	2.0846	2.0846		1.7760	2.4028	2.9463	2.9463	2.4028
H5	1.1026	2.0846	2.0846	1.7760		2.9463	2.4028	2.4028	2.9463
H6	2.0599	1.0214	2.7807	2.4028	2.9463		1.6370	3.1074	2.6412
H7	2.0599	1.0214	2.7807	2.9463	2.4028	1.6370		2.6412	3.1074
H8	2.0599	2.7807	1.0214	2.9463	2.4028	3.1074	2.6412		1.6370
H9	2.0599	2.7807	1.0214	2.4028	2.9463	2.6412	3.1074	1.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.343	C1	N2	H7	110.343
C1	N3	H8	110.343	C1	N3	H9	110.343
N2	C1	N3	119.130	N2	C1	H4	107.475
N2	C1	H5	107.475	N3	C1	H4	107.475
N3	C1	H5	107.475	H4	C1	H5	107.289
H6	N2	H7	106.519	H8	N3	H9	106.519

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)