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	hartrees
Energy at 0K	-150.970415
Energy at 298.15K	-150.978428
HF Energy	-150.305002
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.171739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3486	3398
2	A₁	3065	2988
3	A₁	1669	1627
4	A₁	1500	1462
5	A₁	1119	1091
6	A₁	875	853
7	A₁	454	443
8	A₂	3573	3483
9	A₂	1406	1370
10	A₂	1079	1052
11	A₂	261	254
12	B₁	3571	3481
13	B₁	3109	3031
14	B₁	1380	1345
15	B₁	852	830
16	B₁	383	374
17	B₂	3487	3399
18	B₂	1658	1616
19	B₂	1392	1357
20	B₂	1097	1069
21	B₂	829	808

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.261	-0.185
N3	0.000	-1.261	-0.185
H4	0.878	0.000	1.205
H5	-0.878	0.000	1.205
H6	0.811	1.298	-0.793
H7	-0.811	1.298	-0.793
H8	-0.811	-1.298	-0.793
H9	0.811	-1.298	-0.793

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4628	1.4628	1.0911	1.0911	2.0413	2.0413	2.0413	2.0413
N2	1.4628		2.5211	2.0716	2.0716	1.0147	1.0147	2.7520	2.7520
N3	1.4628	2.5211		2.0716	2.0716	2.7520	2.7520	1.0147	1.0147
H4	1.0911	2.0716	2.0716		1.7565	2.3837	2.9208	2.9208	2.3837
H5	1.0911	2.0716	2.0716	1.7565		2.9208	2.3837	2.3837	2.9208
H6	2.0413	1.0147	2.7520	2.3837	2.9208		1.6222	3.0609	2.5957
H7	2.0413	1.0147	2.7520	2.9208	2.3837	1.6222		2.5957	3.0609
H8	2.0413	2.7520	1.0147	2.9208	2.3837	3.0609	2.5957		1.6222
H9	2.0413	2.7520	1.0147	2.3837	2.9208	2.5957	3.0609	1.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.630	C1	N2	H7	109.630
C1	N3	H8	109.630	C1	N3	H9	109.630
N2	C1	N3	119.028	N2	C1	H4	107.521
N2	C1	H5	107.521	N3	C1	H4	107.521
N3	C1	H5	107.521	H4	C1	H5	107.199
H6	N2	H7	106.127	H8	N3	H9	106.127

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)