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	hartrees
Energy at 0K	-150.200197
Energy at 298.15K	-150.208086
HF Energy	-150.200197
Nuclear repulsion energy	82.391715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3445	3306	4.27
2	A₁	3091	2967	38.78
3	A₁	1733	1663	36.42
4	A₁	1526	1465	3.50
5	A₁	1076	1033	55.52
6	A₁	725	696	25.40
7	A₁	444	426	1.85
8	A₂	3550	3408	0.00
9	A₂	1430	1372	0.00
10	A₂	1089	1046	0.00
11	A₂	284	272	0.00
12	B₁	3551	3408	0.74
13	B₁	3141	3015	24.95
14	B₁	1375	1320	0.21
15	B₁	835	802	0.35
16	B₁	439	422	116.93
17	B₂	3445	3307	0.79
18	B₂	1719	1650	3.20
19	B₂	1411	1354	3.19
20	B₂	1066	1023	45.48
21	B₂	577	554	600.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.271	-0.189
N3	0.000	-1.271	-0.189
H4	0.882	0.000	1.196
H5	-0.882	0.000	1.196
H6	0.838	1.399	-0.759
H7	-0.838	1.399	-0.759
H8	-0.838	-1.399	-0.759
H9	0.838	-1.399	-0.759

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4691	1.4691	1.0942	1.0942	2.0903	2.0903	2.0903	2.0903
N2	1.4691		2.5419	2.0762	2.0762	1.0220	1.0220	2.8561	2.8561
N3	1.4691	2.5419		2.0762	2.0762	2.8561	2.8561	1.0220	1.0220
H4	1.0942	2.0762	2.0762		1.7631	2.4050	2.9562	2.9562	2.4050
H5	1.0942	2.0762	2.0762	1.7631		2.9562	2.4050	2.4050	2.9562
H6	2.0903	1.0220	2.8561	2.4050	2.9562		1.6762	3.2619	2.7983
H7	2.0903	1.0220	2.8561	2.9562	2.4050	1.6762		2.7983	3.2619
H8	2.0903	2.8561	1.0220	2.9562	2.4050	3.2619	2.7983		1.6762
H9	2.0903	2.8561	1.0220	2.4050	2.9562	2.7983	3.2619	1.6762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.867	C1	N2	H7	112.867
C1	N3	H8	112.867	C1	N3	H9	112.867
N2	C1	N3	119.796	N2	C1	H4	107.283
N2	C1	H5	107.283	N3	C1	H4	107.283
N3	C1	H5	107.283	H4	C1	H5	107.349
H6	N2	H7	110.182	H8	N3	H9	110.182

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/3-21G*

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	-0.161
2	N	-0.700
3	N	-0.700
4	H	0.237
5	H	0.237
6	H	0.271
7	H	0.271
8	H	0.271
9	H	0.271

<r²>	54.566
(<r²>)^1/2	7.387

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)