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	hartrees
Energy at 0K	-151.072803
Energy at 298.15K	-151.080855
HF Energy	-151.072803
Nuclear repulsion energy	83.340570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3517	3375	5.06
2	A₁	3077	2952	46.13
3	A₁	1726	1656	64.45
4	A₁	1495	1435	1.21
5	A₁	1122	1077	38.83
6	A₁	887	851	2.45
7	A₁	463	444	4.59
8	A₂	3603	3458	0.00
9	A₂	1420	1362	0.00
10	A₂	1092	1048	0.00
11	A₂	269	258	0.00
12	B₁	3602	3456	1.46
13	B₁	3119	2993	33.30
14	B₁	1395	1339	0.76
15	B₁	856	822	0.46
16	B₁	419	402	103.90
17	B₂	3519	3377	0.18
18	B₂	1715	1646	2.57
19	B₂	1403	1346	22.15
20	B₂	1105	1061	82.62
21	B₂	802	770	481.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.547
N2	0.000	1.258	-0.183
N3	0.000	-1.258	-0.183
H4	0.876	0.000	1.202
H5	-0.876	0.000	1.202
H6	0.815	1.322	-0.782
H7	-0.815	1.322	-0.782
H8	-0.815	-1.322	-0.782
H9	0.815	-1.322	-0.782

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4539	1.4539	1.0936	1.0936	2.0442	2.0442	2.0442	2.0442
N2	1.4539		2.5153	2.0653	2.0653	1.0139	1.0139	2.7711	2.7711
N3	1.4539	2.5153		2.0653	2.0653	2.7711	2.7711	1.0139	1.0139
H4	1.0936	2.0653	2.0653		1.7515	2.3849	2.9229	2.9229	2.3849
H5	1.0936	2.0653	2.0653	1.7515		2.9229	2.3849	2.3849	2.9229
H6	2.0442	1.0139	2.7711	2.3849	2.9229		1.6303	3.1065	2.6443
H7	2.0442	1.0139	2.7711	2.9229	2.3849	1.6303		2.6443	3.1065
H8	2.0442	2.7711	1.0139	2.9229	2.3849	3.1065	2.6443		1.6303
H9	2.0442	2.7711	1.0139	2.3849	2.9229	2.6443	3.1065	1.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.592	C1	N2	H7	110.592
C1	N3	H8	110.592	C1	N3	H9	110.592
N2	C1	N3	119.761	N2	C1	H4	107.489
N2	C1	H5	107.489	N3	C1	H4	107.489
N3	C1	H5	107.489	H4	C1	H5	106.420
H6	N2	H7	107.030	H8	N3	H9	107.030

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HSEh1PBE/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	-0.213
2	N	-0.737
3	N	-0.737
4	H	0.233
5	H	0.233
6	H	0.306
7	H	0.306
8	H	0.306
9	H	0.306

<r²>	53.661
(<r²>)^1/2	7.325

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)