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	hartrees
Energy at 0K	-151.059984
Energy at 298.15K	-151.067942
HF Energy	-151.059984
Nuclear repulsion energy	83.211811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3521	3385	1.10
2	A₁	3076	2958	33.83
3	A₁	1648	1585	42.96
4	A₁	1463	1407	0.76
5	A₁	1100	1057	32.82
6	A₁	846	814	5.95
7	A₁	454	437	1.72
8	A₂	3613	3474	0.00
9	A₂	1387	1334	0.00
10	A₂	1068	1027	0.00
11	A₂	250	240	0.00
12	B₁	3611	3472	2.55
13	B₁	3125	3005	23.46
14	B₁	1358	1306	0.38
15	B₁	847	814	0.07
16	B₁	381	366	80.22
17	B₂	3521	3386	3.43
18	B₂	1640	1577	9.37
19	B₂	1372	1319	18.14
20	B₂	1113	1070	96.95
21	B₂	763	733	367.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.257	-0.183
N3	0.000	-1.257	-0.183
H4	0.882	0.000	1.204
H5	-0.882	0.000	1.204
H6	0.817	1.331	-0.783
H7	-0.817	1.331	-0.783
H8	-0.817	-1.331	-0.783
H9	0.817	-1.331	-0.783

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4541	1.4541	1.0989	1.0989	2.0524	2.0524	2.0524	2.0524
N2	1.4541		2.5132	2.0691	2.0691	1.0166	1.0166	2.7791	2.7791
N3	1.4541	2.5132		2.0691	2.0691	2.7791	2.7791	1.0166	1.0166
H4	1.0989	2.0691	2.0691		1.7640	2.3925	2.9338	2.9338	2.3925
H5	1.0989	2.0691	2.0691	1.7640		2.9338	2.3925	2.3925	2.9338
H6	2.0524	1.0166	2.7791	2.3925	2.9338		1.6346	3.1237	2.6619
H7	2.0524	1.0166	2.7791	2.9338	2.3925	1.6346		2.6619	3.1237
H8	2.0524	2.7791	1.0166	2.9338	2.3925	3.1237	2.6619		1.6346
H9	2.0524	2.7791	1.0166	2.3925	2.9338	2.6619	3.1237	1.6346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.109	C1	N2	H7	111.109
C1	N3	H8	111.109	C1	N3	H9	111.109
N2	C1	N3	119.579	N2	C1	H4	107.466
N2	C1	H5	107.466	N3	C1	H4	107.466
N3	C1	H5	107.466	H4	C1	H5	106.761
H6	N2	H7	107.024	H8	N3	H9	107.024

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	0.883
2	N	-0.188
3	N	-0.188
4	H	-0.172
5	H	-0.172
6	H	-0.040
7	H	-0.040
8	H	-0.040
9	H	-0.040

<r²>	53.997
(<r²>)^1/2	7.348

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)