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	hartrees
Energy at 0K	-149.712262
Energy at 298.15K	-149.720272
HF Energy	-149.400750
Counterpoise corrected energy	-149.712262
CP Energy at 298.15K	-149.720272
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	81.783368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3428	3250	5.23
2	A₁	3118	2956	35.37
3	A₁	1766	1675	32.67
4	A₁	1570	1489	0.79
5	A₁	1100	1043	57.48
6	A₁	783	743	5.46
7	A₁	445	422	5.76
8	A₂	3534	3350	0.00
9	A₂	1448	1372	0.00
10	A₂	1104	1046	0.00
11	A₂	299	284	0.00
12	B₁	3534	3350	2.93
13	B₁	3173	3008	26.78
14	B₁	1404	1331	0.29
15	B₁	847	803	0.09
16	B₁	440	417	120.75
17	B₂	3430	3251	0.47
18	B₂	1754	1662	0.33
19	B₂	1436	1361	6.75
20	B₂	1050	995	13.10
21	B₂	696	660	563.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.560
N2	0.000	1.286	-0.191
N3	0.000	-1.286	-0.191
H4	0.885	0.000	1.200
H5	-0.885	0.000	1.200
H6	0.836	1.384	-0.773
H7	-0.836	1.384	-0.773
H8	-0.836	-1.384	-0.773
H9	0.836	-1.384	-0.773

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4893	1.4893	1.0924	1.0924	2.0956	2.0956	2.0956	2.0956
N2	1.4893		2.5727	2.0910	2.0910	1.0233	1.0233	2.8583	2.8583
N3	1.4893	2.5727		2.0910	2.0910	2.8583	2.8583	1.0233	1.0233
H4	1.0924	2.0910	2.0910		1.7704	2.4106	2.9615	2.9615	2.4106
H5	1.0924	2.0910	2.0910	1.7704		2.9615	2.4106	2.4106	2.9615
H6	2.0956	1.0233	2.8583	2.4106	2.9615		1.6716	3.2342	2.7687
H7	2.0956	1.0233	2.8583	2.9615	2.4106	1.6716		2.7687	3.2342
H8	2.0956	2.8583	1.0233	2.9615	2.4106	3.2342	2.7687		1.6716
H9	2.0956	2.8583	1.0233	2.4106	2.9615	2.7687	3.2342	1.6716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.684	C1	N2	H7	111.684
C1	N3	H8	111.684	C1	N3	H9	111.684
N2	C1	N3	119.468	N2	C1	H4	107.177
N2	C1	H5	107.177	N3	C1	H4	107.177
N3	C1	H5	107.177	H4	C1	H5	108.263
H6	N2	H7	109.533	H8	N3	H9	109.533

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)