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	hartrees
Energy at 0K	-151.147193
Energy at 298.15K	-151.155168
HF Energy	-151.147193
Nuclear repulsion energy	83.357933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3553	3398	0.24
2	A₁	3095	2960	36.51
3	A₁	1677	1604	68.25
4	A₁	1491	1426	0.45
5	A₁	1095	1048	41.46
6	A₁	842	805	13.44
7	A₁	461	441	1.84
8	A₂	3653	3495	0.00
9	A₂	1400	1339	0.00
10	A₂	1068	1022	0.00
11	A₂	264	253	0.00
12	B₁	3651	3492	4.36
13	B₁	3145	3008	26.81
14	B₁	1367	1308	0.00
15	B₁	846	809	0.21
16	B₁	398	381	99.97
17	B₂	3554	3399	1.12
18	B₂	1667	1595	6.70
19	B₂	1394	1333	24.00
20	B₂	1106	1058	121.99
21	B₂	746	714	442.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.546
N2	0.000	1.255	-0.184
N3	0.000	-1.255	-0.184
H4	0.877	0.000	1.197
H5	-0.877	0.000	1.197
H6	0.819	1.346	-0.773
H7	-0.819	1.346	-0.773
H8	-0.819	-1.346	-0.773
H9	0.819	-1.346	-0.773

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4518	1.4518	1.0921	1.0921	2.0546	2.0546	2.0546	2.0546
N2	1.4518		2.5103	2.0617	2.0617	1.0127	1.0127	2.7901	2.7901
N3	1.4518	2.5103		2.0617	2.0617	2.7901	2.7901	1.0127	1.0127
H4	1.0921	2.0617	2.0617		1.7536	2.3863	2.9269	2.9269	2.3863
H5	1.0921	2.0617	2.0617	1.7536		2.9269	2.3863	2.3863	2.9269
H6	2.0546	1.0127	2.7901	2.3863	2.9269		1.6380	3.1517	2.6926
H7	2.0546	1.0127	2.7901	2.9269	2.3863	1.6380		2.6926	3.1517
H8	2.0546	2.7901	1.0127	2.9269	2.3863	3.1517	2.6926		1.6380
H9	2.0546	2.7901	1.0127	2.3863	2.9269	2.6926	3.1517	1.6380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.713	C1	N2	H7	111.713
C1	N3	H8	111.713	C1	N3	H9	111.713
N2	C1	N3	119.658	N2	C1	H4	107.434
N2	C1	H5	107.434	N3	C1	H4	107.434
N3	C1	H5	107.434	H4	C1	H5	106.812
H6	N2	H7	107.943	H8	N3	H9	107.943

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/6-31+G**

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	-0.211
2	N	-0.626
3	N	-0.626
4	H	0.155
5	H	0.155
6	H	0.288
7	H	0.288
8	H	0.288
9	H	0.288

<r²>	53.986
(<r²>)^1/2	7.348

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)