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	hartrees
Energy at 0K	-151.137188
Energy at 298.15K	-151.145255
HF Energy	-151.137188
Nuclear repulsion energy	83.258981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3352	0.55
2	A₁	3102	2948	40.54
3	A₁	1674	1591	44.21
4	A₁	1507	1432	0.12
5	A₁	1124	1068	39.26
6	A₁	885	841	1.72
7	A₁	465	442	5.78
8	A₂	3621	3442	0.00
9	A₂	1412	1342	0.00
10	A₂	1077	1024	0.00
11	A₂	286	272	0.00
12	B₁	3619	3439	0.06
13	B₁	3150	2994	28.87
14	B₁	1376	1308	0.24
15	B₁	859	816	0.62
16	B₁	421	400	104.74
17	B₂	3528	3353	0.01
18	B₂	1666	1583	4.14
19	B₂	1409	1339	23.64
20	B₂	1122	1066	81.89
21	B₂	793	753	435.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.257	-0.184
N3	0.000	-1.257	-0.184
H4	0.879	0.000	1.204
H5	-0.879	0.000	1.204
H6	0.816	1.309	-0.788
H7	-0.816	1.309	-0.788
H8	-0.816	-1.309	-0.788
H9	0.816	-1.309	-0.788

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4571	1.4571	1.0938	1.0938	2.0442	2.0442	2.0442	2.0442
N2	1.4571		2.5136	2.0687	2.0687	1.0163	1.0163	2.7597	2.7597
N3	1.4571	2.5136		2.0687	2.0687	2.7597	2.7597	1.0163	1.0163
H4	1.0938	2.0687	2.0687		1.7577	2.3849	2.9250	2.9250	2.3849
H5	1.0938	2.0687	2.0687	1.7577		2.9250	2.3849	2.3849	2.9250
H6	2.0442	1.0163	2.7597	2.3849	2.9250		1.6316	3.0856	2.6189
H7	2.0442	1.0163	2.7597	2.9250	2.3849	1.6316		2.6189	3.0856
H8	2.0442	2.7597	1.0163	2.9250	2.3849	3.0856	2.6189		1.6316
H9	2.0442	2.7597	1.0163	2.3849	2.9250	2.6189	3.0856	1.6316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.201	C1	N2	H7	110.201
C1	N3	H8	110.201	C1	N3	H9	110.201
N2	C1	N3	119.209	N2	C1	H4	107.531
N2	C1	H5	107.531	N3	C1	H4	107.531
N3	C1	H5	107.531	H4	C1	H5	106.927
H6	N2	H7	106.771	H8	N3	H9	106.771

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: M06-2X/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	-0.006
2	N	-0.628
3	N	-0.628
4	H	0.136
5	H	0.136
6	H	0.247
7	H	0.247
8	H	0.247
9	H	0.247

<r²>	53.487
(<r²>)^1/2	7.313

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)