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	hartrees
Energy at 0K	-151.123710
Energy at 298.15K	-151.131785
HF Energy	-151.123710
Nuclear repulsion energy	83.206606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3505	3319	0.82
2	A₁	3117	2952	38.32
3	A₁	1706	1615	47.57
4	A₁	1520	1439	0.20
5	A₁	1136	1076	38.85
6	A₁	902	854	0.70
7	A₁	464	440	6.43
8	A₂	3597	3406	0.00
9	A₂	1422	1346	0.00
10	A₂	1087	1029	0.00
11	A₂	287	272	0.00
12	B₁	3595	3404	0.00
13	B₁	3166	2998	27.78
14	B₁	1390	1316	0.33
15	B₁	862	817	0.76
16	B₁	421	399	110.43
17	B₂	3507	3321	0.06
18	B₂	1697	1607	2.63
19	B₂	1417	1342	26.30
20	B₂	1124	1065	80.41
21	B₂	817	773	442.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.258	-0.184
N3	0.000	-1.258	-0.184
H4	0.879	0.000	1.204
H5	-0.879	0.000	1.204
H6	0.816	1.307	-0.790
H7	-0.816	1.307	-0.790
H8	-0.816	-1.307	-0.790
H9	0.816	-1.307	-0.790

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4580	1.4580	1.0937	1.0937	2.0447	2.0447	2.0447	2.0447
N2	1.4580		2.5155	2.0691	2.0691	1.0181	1.0181	2.7591	2.7591
N3	1.4580	2.5155		2.0691	2.0691	2.7591	2.7591	1.0181	1.0181
H4	1.0937	2.0691	2.0691		1.7590	2.3852	2.9258	2.9258	2.3852
H5	1.0937	2.0691	2.0691	1.7590		2.9258	2.3852	2.3852	2.9258
H6	2.0447	1.0181	2.7591	2.3852	2.9258		1.6325	3.0822	2.6143
H7	2.0447	1.0181	2.7591	2.9258	2.3852	1.6325		2.6143	3.0822
H8	2.0447	2.7591	1.0181	2.9258	2.3852	3.0822	2.6143		1.6325
H9	2.0447	2.7591	1.0181	2.3852	2.9258	2.6143	3.0822	1.6325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.070	C1	N2	H7	110.070
C1	N3	H8	110.070	C1	N3	H9	110.070
N2	C1	N3	119.229	N2	C1	H4	107.499
N2	C1	H5	107.499	N3	C1	H4	107.499
N3	C1	H5	107.499	H4	C1	H5	107.051
H6	N2	H7	106.602	H8	N3	H9	106.602

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	-0.086
2	N	-0.736
3	N	-0.736
4	H	0.174
5	H	0.174
6	H	0.302
7	H	0.302
8	H	0.302
9	H	0.302

<r²>	53.576
(<r²>)^1/2	7.320

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)