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	hartrees
Energy at 0K	-150.801864
Energy at 298.15K	-150.809961
HF Energy	-150.255415
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.708557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3448	3375
2	A₁	3063	2998
3	A₁	1662	1626
4	A₁	1483	1452
5	A₁	1146	1122
6	A₁	910	891
7	A₁	453	443
8	A₂	3535	3460
9	A₂	1403	1373
10	A₂	1087	1064
11	A₂	285	279
12	B₁	3533	3458
13	B₁	3115	3049
14	B₁	1386	1356
15	B₁	857	839
16	B₁	414	406
17	B₂	3448	3375
18	B₂	1655	1620
19	B₂	1390	1361
20	B₂	1113	1090
21	B₂	883	864

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.561
N2	0.000	1.267	-0.183
N3	0.000	-1.267	-0.183
H4	0.890	0.000	1.218
H5	-0.890	0.000	1.218
H6	0.813	1.269	-0.812
H7	-0.813	1.269	-0.812
H8	-0.813	-1.269	-0.812
H9	0.813	-1.269	-0.812

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4691	1.4691	1.1063	1.1063	2.0386	2.0386	2.0386	2.0386
N2	1.4691		2.5342	2.0879	2.0879	1.0277	1.0277	2.7368	2.7368
N3	1.4691	2.5342		2.0879	2.0879	2.7368	2.7368	1.0277	1.0277
H4	1.1063	2.0879	2.0879		1.7798	2.3954	2.9378	2.9378	2.3954
H5	1.1063	2.0879	2.0879	1.7798		2.9378	2.3954	2.3954	2.9378
H6	2.0386	1.0277	2.7368	2.3954	2.9378		1.6251	3.0145	2.5389
H7	2.0386	1.0277	2.7368	2.9378	2.3954	1.6251		2.5389	3.0145
H8	2.0386	2.7368	1.0277	2.9378	2.3954	3.0145	2.5389		1.6251
H9	2.0386	2.7368	1.0277	2.3954	2.9378	2.5389	3.0145	1.6251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.169	C1	N2	H7	108.169
C1	N3	H8	108.169	C1	N3	H9	108.169
N2	C1	N3	119.197	N2	C1	H4	107.497
N2	C1	H5	107.497	N3	C1	H4	107.497
N3	C1	H5	107.497	H4	C1	H5	107.102
H6	N2	H7	104.494	H8	N3	H9	104.494

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD(T)/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(T)/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)