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	hartrees
Energy at 0K	-151.021086
Energy at 298.15K	-151.029047
HF Energy	-151.021086
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.552314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3389	3343	6.84
2	A₁	2992	2951	40.23
3	A₁	1628	1606	32.13
4	A₁	1444	1424	0.26
5	A₁	1084	1069	26.70
6	A₁	838	827	0.11
7	A₁	442	436	6.19
8	A₂	3483	3435	0.00
9	A₂	1363	1344	0.00
10	A₂	1051	1037	0.00
11	A₂	273	269	0.00
12	B₁	3480	3433	2.38
13	B₁	3040	2999	26.45
14	B₁	1337	1319	0.75
15	B₁	826	815	0.10
16	B₁	413	407	96.46
17	B₂	3390	3343	0.34
18	B₂	1617	1595	0.76
19	B₂	1349	1330	19.51
20	B₂	1052	1038	52.66
21	B₂	771	761	443.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.549
N2	0.000	1.274	-0.180
N3	0.000	-1.274	-0.180
H4	0.886	0.000	1.208
H5	-0.886	0.000	1.208
H6	0.819	1.315	-0.798
H7	-0.819	1.315	-0.798
H8	-0.819	-1.315	-0.798
H9	0.819	-1.315	-0.798

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4681	1.4681	1.1038	1.1038	2.0529	2.0529	2.0529	2.0529
N2	1.4681		2.5488	2.0818	2.0818	1.0264	1.0264	2.7855	2.7855
N3	1.4681	2.5488		2.0818	2.0818	2.7855	2.7855	1.0264	1.0264
H4	1.1038	2.0818	2.0818		1.7717	2.3994	2.9423	2.9423	2.3994
H5	1.1038	2.0818	2.0818	1.7717		2.9423	2.3994	2.3994	2.9423
H6	2.0529	1.0264	2.7855	2.3994	2.9423		1.6371	3.0987	2.6309
H7	2.0529	1.0264	2.7855	2.9423	2.3994	1.6371		2.6309	3.0987
H8	2.0529	2.7855	1.0264	2.9423	2.3994	3.0987	2.6309		1.6371
H9	2.0529	2.7855	1.0264	2.3994	2.9423	2.6309	3.0987	1.6371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.491	C1	N2	H7	109.491
C1	N3	H8	109.491	C1	N3	H9	109.491
N2	C1	N3	120.462	N2	C1	H4	107.232
N2	C1	H5	107.232	N3	C1	H4	107.232
N3	C1	H5	107.232	H4	C1	H5	106.739
H6	N2	H7	105.777	H8	N3	H9	105.777

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBEPBE/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	-0.053
2	N	-0.564
3	N	-0.564
4	H	0.133
5	H	0.133
6	H	0.229
7	H	0.229
8	H	0.229
9	H	0.229

<r²>	54.251
(<r²>)^1/2	7.366

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)