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	hartrees
Energy at 0K	-151.016573
Energy at 298.15K	-151.024611
HF Energy	-150.305573
Nuclear repulsion energy	83.476636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3510	3362
2	A₁	3086	2956
3	A₁	1675	1605
4	A₁	1509	1446
5	A₁	1121	1074
6	A₁	878	841
7	A₁	460	441
8	A₂	3593	3442
9	A₂	1412	1353
10	A₂	1083	1037
11	A₂	265	254
12	B₁	3590	3439
13	B₁	3108	2978
14	B₁	1385	1327
15	B₁	854	818
16	B₁	396	379
17	B₂	3510	3363
18	B₂	1663	1593
19	B₂	1398	1339
20	B₂	1109	1062
21	B₂	824	789

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.255	-0.184
N3	0.000	-1.255	-0.184
H4	0.874	0.000	1.201
H5	-0.874	0.000	1.201
H6	0.811	1.297	-0.789
H7	-0.811	1.297	-0.789
H8	-0.811	-1.297	-0.789
H9	0.811	-1.297	-0.789

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4566	1.4566	1.0868	1.0868	2.0361	2.0361	2.0361	2.0361
N2	1.4566		2.5096	2.0634	2.0634	1.0120	1.0120	2.7448	2.7448
N3	1.4566	2.5096		2.0634	2.0634	2.7448	2.7448	1.0120	1.0120
H4	1.0868	2.0634	2.0634		1.7487	2.3757	2.9120	2.9120	2.3757
H5	1.0868	2.0634	2.0634	1.7487		2.9120	2.3757	2.3757	2.9120
H6	2.0361	1.0120	2.7448	2.3757	2.9120		1.6214	3.0591	2.5940
H7	2.0361	1.0120	2.7448	2.9120	2.3757	1.6214		2.5940	3.0591
H8	2.0361	2.7448	1.0120	2.9120	2.3757	3.0591	2.5940		1.6214
H9	2.0361	2.7448	1.0120	2.3757	2.9120	2.5940	3.0591	1.6214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.828	C1	N2	H7	109.828
C1	N3	H8	109.828	C1	N3	H9	109.828
N2	C1	N3	118.958	N2	C1	H4	107.555
N2	C1	H5	107.555	N3	C1	H4	107.555
N3	C1	H5	107.555	H4	C1	H5	107.131
H6	N2	H7	106.468	H8	N3	H9	106.468

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD(T)=FULL/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)