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	hartrees
Energy at 0K	-151.159457
Energy at 298.15K	-151.167503
HF Energy	-151.159457
Nuclear repulsion energy	83.453713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3523	3377	4.91
2	A₁	3087	2959	46.63
3	A₁	1727	1655	63.73
4	A₁	1499	1437	1.02
5	A₁	1122	1076	38.92
6	A₁	887	850	2.29
7	A₁	459	440	4.77
8	A₂	3609	3460	0.00
9	A₂	1420	1361	0.00
10	A₂	1090	1045	0.00
11	A₂	269	258	0.00
12	B₁	3608	3458	1.54
13	B₁	3130	3000	33.55
14	B₁	1393	1335	0.71
15	B₁	854	819	0.53
16	B₁	417	400	103.57
17	B₂	3525	3379	0.15
18	B₂	1716	1645	2.54
19	B₂	1403	1345	23.19
20	B₂	1105	1060	83.82
21	B₂	802	769	474.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.256	-0.183
N3	0.000	-1.256	-0.183
H4	0.874	0.000	1.200
H5	-0.874	0.000	1.200
H6	0.814	1.319	-0.781
H7	-0.814	1.319	-0.781
H8	-0.814	-1.319	-0.781
H9	0.814	-1.319	-0.781

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4526	1.4526	1.0908	1.0908	2.0415	2.0415	2.0415	2.0415
N2	1.4526		2.5121	2.0622	2.0622	1.0122	1.0122	2.7665	2.7665
N3	1.4526	2.5121		2.0622	2.0622	2.7665	2.7665	1.0122	1.0122
H4	1.0908	2.0622	2.0622		1.7476	2.3812	2.9179	2.9179	2.3812
H5	1.0908	2.0622	2.0622	1.7476		2.9179	2.3812	2.3812	2.9179
H6	2.0415	1.0122	2.7665	2.3812	2.9179		1.6274	3.1003	2.6388
H7	2.0415	1.0122	2.7665	2.9179	2.3812	1.6274		2.6388	3.1003
H8	2.0415	2.7665	1.0122	2.9179	2.3812	3.1003	2.6388		1.6274
H9	2.0415	2.7665	1.0122	2.3812	2.9179	2.6388	3.1003	1.6274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.565	C1	N2	H7	110.565
C1	N3	H8	110.565	C1	N3	H9	110.565
N2	C1	N3	119.694	N2	C1	H4	107.497
N2	C1	H5	107.497	N3	C1	H4	107.497
N3	C1	H5	107.497	H4	C1	H5	106.466
H6	N2	H7	106.997	H8	N3	H9	106.997

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/6-311G*

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	-0.211
2	N	-0.730
3	N	-0.730
4	H	0.230
5	H	0.230
6	H	0.303
7	H	0.303
8	H	0.303
9	H	0.303

<r²>	53.510
(<r²>)^1/2	7.315

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)