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	hartrees
Energy at 0K	-151.189552
Energy at 298.15K	-151.197528
HF Energy	-151.189552
Nuclear repulsion energy	83.596568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3525	3373	1.03
2	A₁	3075	2943	39.55
3	A₁	1666	1595	41.72
4	A₁	1491	1427	0.21
5	A₁	1106	1058	35.58
6	A₁	856	819	2.63
7	A₁	453	434	3.08
8	A₂	3612	3457	0.00
9	A₂	1399	1339	0.00
10	A₂	1072	1026	0.00
11	A₂	252	241	0.00
12	B₁	3610	3455	0.58
13	B₁	3115	2982	25.89
14	B₁	1370	1311	0.29
15	B₁	846	809	0.12
16	B₁	387	371	81.05
17	B₂	3526	3374	1.05
18	B₂	1656	1585	5.15
19	B₂	1388	1328	18.74
20	B₂	1099	1052	81.14
21	B₂	779	746	407.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
N2	0.000	1.252	-0.183
N3	0.000	-1.252	-0.183
H4	0.873	0.000	1.198
H5	-0.873	0.000	1.198
H6	0.812	1.318	-0.780
H7	-0.812	1.318	-0.780
H8	-0.812	-1.318	-0.780
H9	0.812	-1.318	-0.780

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4505	1.4505	1.0887	1.0887	2.0404	2.0404	2.0404	2.0404
N2	1.4505		2.5048	2.0592	2.0592	1.0102	1.0102	2.7612	2.7612
N3	1.4505	2.5048		2.0592	2.0592	2.7612	2.7612	1.0102	1.0102
H4	1.0887	2.0592	2.0592		1.7469	2.3785	2.9146	2.9146	2.3785
H5	1.0887	2.0592	2.0592	1.7469		2.9146	2.3785	2.3785	2.9146
H6	2.0404	1.0102	2.7612	2.3785	2.9146		1.6244	3.0967	2.6365
H7	2.0404	1.0102	2.7612	2.9146	2.3785	1.6244		2.6365	3.0967
H8	2.0404	2.7612	1.0102	2.9146	2.3785	3.0967	2.6365		1.6244
H9	2.0404	2.7612	1.0102	2.3785	2.9146	2.6365	3.0967	1.6244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.763	C1	N2	H7	110.763
C1	N3	H8	110.763	C1	N3	H9	110.763
N2	C1	N3	119.401	N2	C1	H4	107.528
N2	C1	H5	107.528	N3	C1	H4	107.528
N3	C1	H5	107.528	H4	C1	H5	106.698
H6	N2	H7	107.026	H8	N3	H9	107.026

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/cc-pVTZ

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	-0.074
2	N	-0.343
3	N	-0.343
4	H	0.113
5	H	0.113
6	H	0.133
7	H	0.133
8	H	0.133
9	H	0.133

<r²>	53.282
(<r²>)^1/2	7.299

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)