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	hartrees
Energy at 0K	-150.758970
Energy at 298.15K	-150.767093
HF Energy	-150.256470
Counterpoise corrected energy	-150.758970
CP Energy at 298.15K	-150.767093
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.031832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3501	3327	2.10
2	A₁	3109	2955	42.83
3	A₁	1663	1581	32.77
4	A₁	1495	1421	0.01
5	A₁	1148	1091	26.97
6	A₁	912	867	0.32
7	A₁	459	436	7.79
8	A₂	3601	3422	0.00
9	A₂	1415	1344	0.00
10	A₂	1091	1037	0.00
11	A₂	290	276	0.00
12	B₁	3598	3419	0.01
13	B₁	3172	3015	28.63
14	B₁	1388	1319	1.48
15	B₁	866	823	1.18
16	B₁	426	405	92.09
17	B₂	3502	3328	0.06
18	B₂	1657	1575	1.04
19	B₂	1399	1330	29.21
20	B₂	1132	1076	62.02
21	B₂	864	821	368.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.557
N2	0.000	1.262	-0.182
N3	0.000	-1.262	-0.182
H4	0.885	0.000	1.212
H5	-0.885	0.000	1.212
H6	0.811	1.275	-0.806
H7	-0.811	1.275	-0.806
H8	-0.811	-1.275	-0.806
H9	0.811	-1.275	-0.806

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4619	1.4619	1.1018	1.1018	2.0346	2.0346	2.0346	2.0346
N2	1.4619		2.5238	2.0782	2.0782	1.0236	1.0236	2.7358	2.7358
N3	1.4619	2.5238		2.0782	2.0782	2.7358	2.7358	1.0236	1.0236
H4	1.1018	2.0782	2.0782		1.7708	2.3882	2.9286	2.9286	2.3882
H5	1.1018	2.0782	2.0782	1.7708		2.9286	2.3882	2.3882	2.9286
H6	2.0346	1.0236	2.7358	2.3882	2.9286		1.6225	3.0228	2.5505
H7	2.0346	1.0236	2.7358	2.9286	2.3882	1.6225		2.5505	3.0228
H8	2.0346	2.7358	1.0236	2.9286	2.3882	3.0228	2.5505		1.6225
H9	2.0346	2.7358	1.0236	2.3882	2.9286	2.5505	3.0228	1.6225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.604	C1	N2	H7	108.604
C1	N3	H8	108.604	C1	N3	H9	108.604
N2	C1	N3	119.358	N2	C1	H4	107.486
N2	C1	H5	107.486	N3	C1	H4	107.486
N3	C1	H5	107.486	H4	C1	H5	106.948
H6	N2	H7	104.850	H8	N3	H9	104.850

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)