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	hartrees
Energy at 0K	-151.075443
Energy at 298.15K
HF Energy	-151.075443
Nuclear repulsion energy	83.013589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3594	3427	0.12
2	A₁	3102	2959	50.58
3	A₁	1719	1640	49.42
4	A₁	1519	1449	2.85
5	A₁	1087	1037	66.69
6	A₁	667	637	127.41
7	A₁	453	432	8.36
8	A₂	3721	3549	0.00
9	A₂	1416	1350	0.00
10	A₂	1060	1011	0.00
11	A₂	242	231	0.00
12	B₁	3721	3549	2.18
13	B₁	3157	3011	33.11
14	B₁	1360	1297	1.26
15	B₁	840	801	2.10
16	B₁	415	396	90.91
17	B₂	3595	3429	0.12
18	B₂	1709	1630	16.39
19	B₂	1424	1358	7.52
20	B₂	1112	1061	133.25
21	B₂	450	429	608.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.537
N2	0.000	1.252	-0.198
N3	0.000	-1.252	-0.198
H4	0.876	0.000	1.189
H5	-0.876	0.000	1.189
H6	0.842	1.472	-0.708
H7	-0.842	1.472	-0.708
H8	-0.842	-1.472	-0.708
H9	0.842	-1.472	-0.708

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4519	1.4519	1.0919	1.0919	2.1041	2.1041	2.1041	2.1041
N2	1.4519		2.5036	2.0637	2.0637	1.0084	1.0084	2.8965	2.8965
N3	1.4519	2.5036		2.0637	2.0637	2.8965	2.8965	1.0084	1.0084
H4	1.0919	2.0637	2.0637		1.7517	2.4019	2.9525	2.9525	2.4019
H5	1.0919	2.0637	2.0637	1.7517		2.9525	2.4019	2.4019	2.9525
H6	2.1041	1.0084	2.8965	2.4019	2.9525		1.6832	3.3920	2.9449
H7	2.1041	1.0084	2.8965	2.9525	2.4019	1.6832		2.9449	3.3920
H8	2.1041	2.8965	1.0084	2.9525	2.4019	3.3920	2.9449		1.6832
H9	2.1041	2.8965	1.0084	2.4019	2.9525	2.9449	3.3920	1.6832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.407	C1	N2	H7	116.407
C1	N3	H8	116.407	C1	N3	H9	116.407
N2	C1	N3	119.133	N2	C1	H4	107.605
N2	C1	H5	107.605	N3	C1	H4	107.605
N3	C1	H5	107.605	H4	C1	H5	106.674
H6	N2	H7	113.138	H8	N3	H9	113.138

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/6-31G

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	-0.062
2	N	-0.722
3	N	-0.722
4	H	0.175
5	H	0.175
6	H	0.289
7	H	0.289
8	H	0.289
9	H	0.289

<r²>	54.276
(<r²>)^1/2	7.367

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)