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	hartrees
Energy at 0K	-148.439169
Energy at 298.15K	-148.446985
HF Energy	-148.439169
Nuclear repulsion energy	81.166241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3444	3084	30.67
2	A₁	3306	2961	1.79
3	A₁	1819	1629	9.87
4	A₁	1575	1410	1.63
5	A₁	1194	1070	5.66
6	A₁	868	778	2.57
7	A₁	422	378	15.01
8	A₂	3634	3255	0.00
9	A₂	1466	1312	0.00
10	A₂	1154	1033	0.00
11	A₂	311	279	0.00
12	B₁	3633	3253	20.56
13	B₁	3419	3062	0.14
14	B₁	1467	1313	3.15
15	B₁	871	780	0.03
16	B₁	403	361	117.52
17	B₂	3443	3083	1.70
18	B₂	1814	1624	0.28
19	B₂	1420	1272	10.02
20	B₂	1156	1035	0.22
21	B₂	821	735	301.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.579
N2	0.000	1.295	-0.182
N3	0.000	-1.295	-0.182
H4	0.900	0.000	1.225
H5	-0.900	0.000	1.225
H6	0.830	1.231	-0.844
H7	-0.830	1.231	-0.844
H8	-0.830	-1.231	-0.844
H9	0.830	-1.231	-0.844

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.5021	1.5021	1.1083	1.1083	2.0563	2.0563	2.0563	2.0563
N2	1.5021		2.5903	2.1139	2.1139	1.0636	1.0636	2.7401	2.7401
N3	1.5021	2.5903		2.1139	2.1139	2.7401	2.7401	1.0636	1.0636
H4	1.1083	2.1139	2.1139		1.8004	2.4087	2.9650	2.9650	2.4087
H5	1.1083	2.1139	2.1139	1.8004		2.9650	2.4087	2.4087	2.9650
H6	2.0563	1.0636	2.7401	2.4087	2.9650		1.6604	2.9695	2.4619
H7	2.0563	1.0636	2.7401	2.9650	2.4087	1.6604		2.4619	2.9695
H8	2.0563	2.7401	1.0636	2.9650	2.4087	2.9695	2.4619		1.6604
H9	2.0563	2.7401	1.0636	2.4087	2.9650	2.4619	2.9695	1.6604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	105.255	C1	N2	H7	105.255
C1	N3	H8	105.255	C1	N3	H9	105.255
N2	C1	N3	119.127	N2	C1	H4	107.189
N2	C1	H5	107.189	N3	C1	H4	107.189
N3	C1	H5	107.189	H4	C1	H5	108.625
H6	N2	H7	102.629	H8	N3	H9	102.629

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/STO-3G

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	-0.071
2	N	-0.383
3	N	-0.383
4	H	0.104
5	H	0.104
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.158

<r²>	54.162
(<r²>)^1/2	7.359

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)