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	hartrees
Energy at 0K	-151.180094
Energy at 298.15K	-151.188143
HF Energy	-151.180094
Nuclear repulsion energy	83.260941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3526	0.03
2	A₁	3097	3097	34.56
3	A₁	1669	1669	53.60
4	A₁	1504	1504	0.53
5	A₁	1115	1115	40.31
6	A₁	877	877	3.32
7	A₁	461	461	4.38
8	A₂	3614	3614	0.00
9	A₂	1413	1413	0.00
10	A₂	1082	1082	0.00
11	A₂	273	273	0.00
12	B₁	3611	3611	1.34
13	B₁	3141	3141	24.17
14	B₁	1375	1375	0.55
15	B₁	865	865	0.65
16	B₁	411	411	95.50
17	B₂	3528	3528	0.34
18	B₂	1662	1662	4.83
19	B₂	1410	1410	21.33
20	B₂	1110	1110	89.30
21	B₂	785	785	425.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.256	-0.185
N3	0.000	-1.256	-0.185
H4	0.877	0.000	1.204
H5	-0.877	0.000	1.204
H6	0.816	1.314	-0.786
H7	-0.816	1.314	-0.786
H8	-0.816	-1.314	-0.786
H9	0.816	-1.314	-0.786

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4581	1.4581	1.0918	1.0918	2.0466	2.0466	2.0466	2.0466
N2	1.4581		2.5129	2.0686	2.0686	1.0147	1.0147	2.7627	2.7627
N3	1.4581	2.5129		2.0686	2.0686	2.7627	2.7627	1.0147	1.0147
H4	1.0918	2.0686	2.0686		1.7548	2.3856	2.9247	2.9247	2.3856
H5	1.0918	2.0686	2.0686	1.7548		2.9247	2.3856	2.3856	2.9247
H6	2.0466	1.0147	2.7627	2.3856	2.9247		1.6315	3.0930	2.6276
H7	2.0466	1.0147	2.7627	2.9247	2.3856	1.6315		2.6276	3.0930
H8	2.0466	2.7627	1.0147	2.9247	2.3856	3.0930	2.6276		1.6315
H9	2.0466	2.7627	1.0147	2.3856	2.9247	2.6276	3.0930	1.6315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.431	C1	N2	H7	110.431
C1	N3	H8	110.431	C1	N3	H9	110.431
N2	C1	N3	119.024	N2	C1	H4	107.574
N2	C1	H5	107.574	N3	C1	H4	107.574
N3	C1	H5	107.574	H4	C1	H5	106.958
H6	N2	H7	107.016	H8	N3	H9	107.016

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: M06-2X/6-311G**

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	-0.098
2	N	-0.498
3	N	-0.498
4	H	0.151
5	H	0.151
6	H	0.198
7	H	0.198
8	H	0.198
9	H	0.198

<r²>	53.637
(<r²>)^1/2	7.324

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)