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	hartrees
Energy at 0K	-150.282555
Energy at 298.15K	-150.290413
HF Energy	-150.282555
Nuclear repulsion energy	82.488293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3456	3300	3.92
2	A₁	3102	2962	39.39
3	A₁	1731	1653	35.88
4	A₁	1528	1459	3.25
5	A₁	1073	1024	57.09
6	A₁	716	684	29.38
7	A₁	440	420	1.45
8	A₂	3562	3402	0.00
9	A₂	1427	1362	0.00
10	A₂	1085	1036	0.00
11	A₂	277	264	0.00
12	B₁	3563	3402	0.78
13	B₁	3152	3009	25.79
14	B₁	1370	1308	0.14
15	B₁	831	794	0.31
16	B₁	435	415	115.25
17	B₂	3456	3300	0.82
18	B₂	1718	1640	3.42
19	B₂	1409	1345	3.59
20	B₂	1062	1014	49.34
21	B₂	563	538	596.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.269	-0.189
N3	0.000	-1.269	-0.189
H4	0.880	0.000	1.194
H5	-0.880	0.000	1.194
H6	0.837	1.402	-0.756
H7	-0.837	1.402	-0.756
H8	-0.837	-1.402	-0.756
H9	0.837	-1.402	-0.756

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4679	1.4679	1.0913	1.0913	2.0901	2.0901	2.0901	2.0901
N2	1.4679		2.5384	2.0732	2.0732	1.0197	1.0197	2.8565	2.8565
N3	1.4679	2.5384		2.0732	2.0732	2.8565	2.8565	1.0197	1.0197
H4	1.0913	2.0732	2.0732		1.7592	2.4023	2.9525	2.9525	2.4023
H5	1.0913	2.0732	2.0732	1.7592		2.9525	2.4023	2.4023	2.9525
H6	2.0901	1.0197	2.8565	2.4023	2.9525		1.6746	3.2667	2.8049
H7	2.0901	1.0197	2.8565	2.9525	2.4023	1.6746		2.8049	3.2667
H8	2.0901	2.8565	1.0197	2.9525	2.4023	3.2667	2.8049		1.6746
H9	2.0901	2.8565	1.0197	2.4023	2.9525	2.8049	3.2667	1.6746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	113.088	C1	N2	H7	113.088
C1	N3	H8	113.088	C1	N3	H9	113.088
N2	C1	N3	119.681	N2	C1	H4	107.299
N2	C1	H5	107.299	N3	C1	H4	107.299
N3	C1	H5	107.299	H4	C1	H5	107.420
H6	N2	H7	110.383	H8	N3	H9	110.383

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/3-21G*

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	-0.150
2	N	-0.696
3	N	-0.696
4	H	0.233
5	H	0.233
6	H	0.269
7	H	0.269
8	H	0.269
9	H	0.269

<r²>	54.447
(<r²>)^1/2	7.379

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)