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	hartrees
Energy at 0K	-151.189236
Energy at 298.15K	-151.197177
HF Energy	-151.189236
Nuclear repulsion energy	82.175366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3346	8.46
2	A₁	2969	2958	43.13
3	A₁	1626	1620	39.30
4	A₁	1449	1443	0.17
5	A₁	1062	1057	30.54
6	A₁	817	814	0.29
7	A₁	439	437	4.95
8	A₂	3438	3424	0.00
9	A₂	1361	1356	0.00
10	A₂	1054	1050	0.00
11	A₂	266	265	0.00
12	B₁	3436	3423	3.83
13	B₁	3005	2993	32.21
14	B₁	1335	1330	1.23
15	B₁	830	827	0.41
16	B₁	405	404	83.61
17	B₂	3359	3346	0.08
18	B₂	1617	1610	0.69
19	B₂	1352	1347	16.58
20	B₂	998	994	39.73
21	B₂	765	763	469.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.282	-0.183
N3	0.000	-1.282	-0.183
H4	0.885	0.000	1.208
H5	-0.885	0.000	1.208
H6	0.821	1.336	-0.795
H7	-0.821	1.336	-0.795
H8	-0.821	-1.336	-0.795
H9	0.821	-1.336	-0.795

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4791	1.4791	1.0998	1.0998	2.0687	2.0687	2.0687	2.0687
N2	1.4791		2.5637	2.0884	2.0884	1.0250	1.0250	2.8109	2.8109
N3	1.4791	2.5637		2.0884	2.0884	2.8109	2.8109	1.0250	1.0250
H4	1.0998	2.0884	2.0884		1.7694	2.4081	2.9504	2.9504	2.4081
H5	1.0998	2.0884	2.0884	1.7694		2.9504	2.4081	2.4081	2.9504
H6	2.0687	1.0250	2.8109	2.4081	2.9504		1.6421	3.1363	2.6721
H7	2.0687	1.0250	2.8109	2.9504	2.4081	1.6421		2.6721	3.1363
H8	2.0687	2.8109	1.0250	2.9504	2.4081	3.1363	2.6721		1.6421
H9	2.0687	2.8109	1.0250	2.4081	2.9504	2.6721	3.1363	1.6421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.082	C1	N2	H7	110.082
C1	N3	H8	110.082	C1	N3	H9	110.082
N2	C1	N3	120.143	N2	C1	H4	107.239
N2	C1	H5	107.239	N3	C1	H4	107.239
N3	C1	H5	107.239	H4	C1	H5	107.115
H6	N2	H7	106.449	H8	N3	H9	106.449

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/6-311G**

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	-0.066
2	N	-0.418
3	N	-0.418
4	H	0.118
5	H	0.118
6	H	0.167
7	H	0.167
8	H	0.167
9	H	0.167

<r²>	55.047
(<r²>)^1/2	7.419

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)