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	hartrees
Energy at 0K	-150.329251
Energy at 298.15K	-150.337145
HF Energy	-150.329251
Nuclear repulsion energy	82.378555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3455	3298	3.63
2	A₁	3098	2958	39.16
3	A₁	1736	1657	36.69
4	A₁	1531	1461	3.57
5	A₁	1075	1027	57.48
6	A₁	723	690	27.57
7	A₁	445	424	1.67
8	A₂	3560	3398	0.00
9	A₂	1432	1367	0.00
10	A₂	1090	1040	0.00
11	A₂	282	269	0.00
12	B₁	3561	3399	0.52
13	B₁	3148	3005	25.47
14	B₁	1376	1313	0.13
15	B₁	836	798	0.38
16	B₁	438	418	116.53
17	B₂	3455	3298	0.77
18	B₂	1722	1644	3.31
19	B₂	1414	1350	3.25
20	B₂	1064	1015	45.99
21	B₂	575	549	599.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.272	-0.189
N3	0.000	-1.272	-0.189
H4	0.881	0.000	1.195
H5	-0.881	0.000	1.195
H6	0.838	1.402	-0.758
H7	-0.838	1.402	-0.758
H8	-0.838	-1.402	-0.758
H9	0.838	-1.402	-0.758

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4699	1.4699	1.0930	1.0930	2.0915	2.0915	2.0915	2.0915
N2	1.4699		2.5433	2.0759	2.0759	1.0211	1.0211	2.8593	2.8593
N3	1.4699	2.5433		2.0759	2.0759	2.8593	2.8593	1.0211	1.0211
H4	1.0930	2.0759	2.0759		1.7618	2.4049	2.9556	2.9556	2.4049
H5	1.0930	2.0759	2.0759	1.7618		2.9556	2.4049	2.4049	2.9556
H6	2.0915	1.0211	2.8593	2.4049	2.9556		1.6756	3.2671	2.8047
H7	2.0915	1.0211	2.8593	2.9556	2.4049	1.6756		2.8047	3.2671
H8	2.0915	2.8593	1.0211	2.9556	2.4049	3.2671	2.8047		1.6756
H9	2.0915	2.8593	1.0211	2.4049	2.9556	2.8047	3.2671	1.6756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.966	C1	N2	H7	112.966
C1	N3	H8	112.966	C1	N3	H9	112.966
N2	C1	N3	119.793	N2	C1	H4	107.273
N2	C1	H5	107.273	N3	C1	H4	107.273
N3	C1	H5	107.273	H4	C1	H5	107.402
H6	N2	H7	110.269	H8	N3	H9	110.269

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: mPW1PW91/3-21G

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	-0.160
2	N	-0.705
3	N	-0.705
4	H	0.239
5	H	0.239
6	H	0.273
7	H	0.273
8	H	0.273
9	H	0.273

<r²>	54.578
(<r²>)^1/2	7.388

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)