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	hartrees
Energy at 0K	-150.485069
Energy at 298.15K	-150.492953
HF Energy	-150.485069
Nuclear repulsion energy	83.566602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3412	3375	0.50
2	A₁	2968	2936	30.73
3	A₁	1587	1569	45.12
4	A₁	1404	1389	0.81
5	A₁	1086	1075	28.46
6	A₁	814	805	6.31
7	A₁	445	440	2.09
8	A₂	3505	3467	0.00
9	A₂	1333	1319	0.00
10	A₂	1031	1019	0.00
11	A₂	240	238	0.00
12	B₁	3501	3463	3.20
13	B₁	3011	2978	16.39
14	B₁	1313	1299	0.66
15	B₁	813	804	0.02
16	B₁	395	390	79.77
17	B₂	3415	3378	1.16
18	B₂	1575	1558	6.60
19	B₂	1317	1303	12.53
20	B₂	1101	1089	87.12
21	B₂	706	699	444.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.542
N2	0.000	1.246	-0.181
N3	0.000	-1.246	-0.181
H4	0.880	0.000	1.205
H5	-0.880	0.000	1.205
H6	0.824	1.325	-0.781
H7	-0.824	1.325	-0.781
H8	-0.824	-1.325	-0.781
H9	0.824	-1.325	-0.781

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4406	1.4406	1.1019	1.1019	2.0454	2.0454	2.0454	2.0454
N2	1.4406		2.4920	2.0611	2.0611	1.0221	1.0221	2.7652	2.7652
N3	1.4406	2.4920		2.0611	2.0611	2.7652	2.7652	1.0221	1.0221
H4	1.1019	2.0611	2.0611		1.7605	2.3878	2.9329	2.9329	2.3878
H5	1.1019	2.0611	2.0611	1.7605		2.9329	2.3878	2.3878	2.9329
H6	2.0454	1.0221	2.7652	2.3878	2.9329		1.6475	3.1196	2.6491
H7	2.0454	1.0221	2.7652	2.9329	2.3878	1.6475		2.6491	3.1196
H8	2.0454	2.7652	1.0221	2.9329	2.3878	3.1196	2.6491		1.6475
H9	2.0454	2.7652	1.0221	2.3878	2.9329	2.6491	3.1196	1.6475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.169	C1	N2	H7	111.169
C1	N3	H8	111.169	C1	N3	H9	111.169
N2	C1	N3	119.740	N2	C1	H4	107.575
N2	C1	H5	107.575	N3	C1	H4	107.575
N3	C1	H5	107.575	H4	C1	H5	106.041
H6	N2	H7	107.405	H8	N3	H9	107.405

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.127
2	N	-0.307
3	N	-0.307
4	H	0.114
5	H	0.114
6	H	0.128
7	H	0.128
8	H	0.128
9	H	0.128

<r²>	53.358
(<r²>)^1/2	7.305

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)