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	hartrees
Energy at 0K	-28.262240
Energy at 298.15K	-28.269981
HF Energy	-28.262240
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	50.089096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3797	3423	0.16
2	A₁	3277	2954	88.75
3	A₁	1829	1649	60.24
4	A₁	1627	1466	0.80
5	A₁	1126	1015	98.74
6	A₁	720	649	190.54
7	A₁	476	429	15.00
8	A₂	3932	3544	0.00
9	A₂	1499	1351	0.00
10	A₂	1106	997	0.00
11	A₂	209	189	0.00
12	B₁	3933	3545	3.68
13	B₁	3333	3005	70.59
14	B₁	1441	1299	2.46
15	B₁	891	803	0.65
16	B₁	374	337	98.14
17	B₂	3799	3424	0.11
18	B₂	1824	1645	38.16
19	B₂	1518	1368	16.25
20	B₂	1184	1067	187.30
21	B₂	490	442	632.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
N2	0.000	1.257	-0.205
N3	0.000	-1.257	-0.205
H4	0.876	0.000	1.191
H5	-0.876	0.000	1.191
H6	0.838	1.493	-0.700
H7	-0.838	1.493	-0.700
H8	-0.838	-1.493	-0.700
H9	0.838	-1.493	-0.700

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4662	1.4662	1.0858	1.0858	2.1191	2.1191	2.1191	2.1191
N2	1.4662		2.5145	2.0728	2.0728	1.0013	1.0013	2.9169	2.9169
N3	1.4662	2.5145		2.0728	2.0728	2.9169	2.9169	1.0013	1.0013
H4	1.0858	2.0728	2.0728		1.7519	2.4093	2.9565	2.9565	2.4093
H5	1.0858	2.0728	2.0728	1.7519		2.9565	2.4093	2.4093	2.9565
H6	2.1191	1.0013	2.9169	2.4093	2.9565		1.6759	3.4233	2.9850
H7	2.1191	1.0013	2.9169	2.9565	2.4093	1.6759		2.9850	3.4233
H8	2.1191	2.9169	1.0013	2.9565	2.4093	3.4233	2.9850		1.6759
H9	2.1191	2.9169	1.0013	2.4093	2.9565	2.9850	3.4233	1.6759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	117.119	C1	N2	H7	117.119
C1	N3	H8	117.119	C1	N3	H9	117.119
N2	C1	N3	118.075	N2	C1	H4	107.699
N2	C1	H5	107.699	N3	C1	H4	107.699
N3	C1	H5	107.699	H4	C1	H5	107.554
H6	N2	H7	113.625	H8	N3	H9	113.625

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/CEP-31G

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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Number	Element	Mulliken
1	C	-0.190
2	N	-0.603
3	N	-0.603
4	H	0.150
5	H	0.150
6	H	0.274
7	H	0.274
8	H	0.274
9	H	0.274

<r²>	47.952
(<r²>)^1/2	6.925

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)