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	hartrees
Energy at 0K	-150.421943
Energy at 298.15K	-150.429893
HF Energy	-150.421943
Nuclear repulsion energy	83.369089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3351	2.04
2	A₁	2987	2931	34.71
3	A₁	1605	1575	41.83
4	A₁	1420	1394	0.94
5	A₁	1097	1077	28.41
6	A₁	837	821	4.16
7	A₁	447	439	4.93
8	A₂	3514	3449	0.00
9	A₂	1346	1320	0.00
10	A₂	1037	1017	0.00
11	A₂	268	263	0.00
12	B₁	3510	3445	0.06
13	B₁	3036	2979	19.72
14	B₁	1322	1297	0.82
15	B₁	820	804	0.00
16	B₁	424	416	102.50
17	B₂	3417	3354	0.02
18	B₂	1595	1565	3.48
19	B₂	1332	1307	16.62
20	B₂	1114	1093	81.00
21	B₂	718	704	472.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
N2	0.000	1.252	-0.179
N3	0.000	-1.252	-0.179
H4	0.883	0.000	1.207
H5	-0.883	0.000	1.207
H6	0.823	1.314	-0.788
H7	-0.823	1.314	-0.788
H8	-0.823	-1.314	-0.788
H9	0.823	-1.314	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4444	1.4444	1.1055	1.1055	2.0423	2.0423	2.0423	2.0423
N2	1.4444		2.5036	2.0659	2.0659	1.0257	1.0257	2.7622	2.7622
N3	1.4444	2.5036		2.0659	2.0659	2.7622	2.7622	1.0257	1.0257
H4	1.1055	2.0659	2.0659		1.7652	2.3897	2.9354	2.9354	2.3897
H5	1.1055	2.0659	2.0659	1.7652		2.9354	2.3897	2.3897	2.9354
H6	2.0423	1.0257	2.7622	2.3897	2.9354		1.6462	3.1005	2.6274
H7	2.0423	1.0257	2.7622	2.9354	2.3897	1.6462		2.6274	3.1005
H8	2.0423	2.7622	1.0257	2.9354	2.3897	3.1005	2.6274		1.6462
H9	2.0423	2.7622	1.0257	2.3897	2.9354	2.6274	3.1005	1.6462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.394	C1	N2	H7	110.394
C1	N3	H8	110.394	C1	N3	H9	110.394
N2	C1	N3	120.141	N2	C1	H4	107.485
N2	C1	H5	107.485	N3	C1	H4	107.485
N3	C1	H5	107.485	H4	C1	H5	105.947
H6	N2	H7	106.736	H8	N3	H9	106.736

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	-0.123
2	N	-0.585
3	N	-0.585
4	H	0.152
5	H	0.152
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	53.282
(<r²>)^1/2	7.299

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)