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	hartrees
Energy at 0K	-150.360386
Energy at 298.15K
HF Energy	-150.360386
Nuclear repulsion energy	82.954319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3494	3423	0.11
2	A₁	2990	2930	49.64
3	A₁	1642	1609	51.17
4	A₁	1441	1412	4.64
5	A₁	1083	1061	52.78
6	A₁	629	616	141.29
7	A₁	437	428	25.53
8	A₂	3624	3551	0.00
9	A₂	1355	1327	0.00
10	A₂	1018	998	0.00
11	A₂	223	218	0.00
12	B₁	3624	3551	4.25
13	B₁	3044	2982	27.94
14	B₁	1305	1278	1.16
15	B₁	810	794	5.06
16	B₁	429	421	80.12
17	B₂	3497	3426	0.27
18	B₂	1631	1598	23.87
19	B₂	1363	1335	4.71
20	B₂	1122	1099	154.13
21	B₂	378	370	610.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.527
N2	0.000	1.247	-0.198
N3	0.000	-1.247	-0.198
H4	0.882	0.000	1.195
H5	-0.882	0.000	1.195
H6	0.854	1.493	-0.696
H7	-0.854	1.493	-0.696
H8	-0.854	-1.493	-0.696
H9	0.854	-1.493	-0.696

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4421	1.4421	1.1060	1.1060	2.1108	2.1108	2.1108	2.1108
N2	1.4421		2.4931	2.0665	2.0665	1.0190	1.0190	2.9125	2.9125
N3	1.4421	2.4931		2.0665	2.0665	2.9125	2.9125	1.0190	1.0190
H4	1.1060	2.0665	2.0665		1.7642	2.4093	2.9694	2.9694	2.4093
H5	1.1060	2.0665	2.0665	1.7642		2.9694	2.4093	2.4093	2.9694
H6	2.1108	1.0190	2.9125	2.4093	2.9694		1.7077	3.4397	2.9859
H7	2.1108	1.0190	2.9125	2.9694	2.4093	1.7077		2.9859	3.4397
H8	2.1108	2.9125	1.0190	2.9694	2.4093	3.4397	2.9859		1.7077
H9	2.1108	2.9125	1.0190	2.4093	2.9694	2.9859	3.4397	1.7077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	117.067	C1	N2	H7	117.067
C1	N3	H8	117.067	C1	N3	H9	117.067
N2	C1	N3	119.626	N2	C1	H4	107.656
N2	C1	H5	107.656	N3	C1	H4	107.656
N3	C1	H5	107.656	H4	C1	H5	105.802
H6	N2	H7	113.847	H8	N3	H9	113.847

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: LSDA/6-31G

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	-0.152
2	N	-0.685
3	N	-0.685
4	H	0.181
5	H	0.181
6	H	0.290
7	H	0.290
8	H	0.290
9	H	0.290

<r²>	54.290
(<r²>)^1/2	7.368

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)