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	hartrees
Energy at 0K	-150.290695
Energy at 298.15K	-150.298550
HF Energy	-150.290695
Nuclear repulsion energy	81.141792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3231	3214	25.65
2	A₁	2995	2979	37.18
3	A₁	1685	1675	20.17
4	A₁	1486	1478	1.43
5	A₁	1035	1029	32.22
6	A₁	715	711	1.31
7	A₁	424	422	6.83
8	A₂	3326	3308	0.00
9	A₂	1387	1380	0.00
10	A₂	1072	1066	0.00
11	A₂	285	283	0.00
12	B₁	3328	3310	19.68
13	B₁	3040	3024	25.06
14	B₁	1343	1336	1.68
15	B₁	813	809	0.00
16	B₁	439	436	108.84
17	B₂	3229	3211	3.62
18	B₂	1670	1661	0.01
19	B₂	1367	1360	5.59
20	B₂	984	979	9.66
21	B₂	601	597	552.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.301	-0.185
N3	0.000	-1.301	-0.185
H4	0.892	0.000	1.203
H5	-0.892	0.000	1.203
H6	0.840	1.380	-0.790
H7	-0.840	1.380	-0.790
H8	-0.840	-1.380	-0.790
H9	0.840	-1.380	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4982	1.4982	1.1007	1.1007	2.1037	2.1037	2.1037	2.1037
N2	1.4982		2.6020	2.1013	2.1013	1.0382	1.0382	2.8735	2.8735
N3	1.4982	2.6020		2.1013	2.1013	2.8735	2.8735	1.0382	1.0382
H4	1.1007	2.1013	2.1013		1.7832	2.4246	2.9792	2.9792	2.4246
H5	1.1007	2.1013	2.1013	1.7832		2.9792	2.4246	2.4246	2.9792
H6	2.1037	1.0382	2.8735	2.4246	2.9792		1.6805	3.2306	2.7592
H7	2.1037	1.0382	2.8735	2.9792	2.4246	1.6805		2.7592	3.2306
H8	2.1037	2.8735	1.0382	2.9792	2.4246	3.2306	2.7592		1.6805
H9	2.1037	2.8735	1.0382	2.4246	2.9792	2.7592	3.2306	1.6805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.769	C1	N2	H7	110.769
C1	N3	H8	110.769	C1	N3	H9	110.769
N2	C1	N3	120.536	N2	C1	H4	106.908
N2	C1	H5	106.908	N3	C1	H4	106.908
N3	C1	H5	106.908	H4	C1	H5	108.193
H6	N2	H7	108.062	H8	N3	H9	108.062

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: BLYP/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	-0.143
2	N	-0.596
3	N	-0.596
4	H	0.200
5	H	0.200
6	H	0.234
7	H	0.234
8	H	0.234
9	H	0.234

<r²>	55.987
(<r²>)^1/2	7.482

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)