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	hartrees
Energy at 0K	-151.173505
Energy at 298.15K	-151.181528
HF Energy	-151.173505
Nuclear repulsion energy	83.464252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3526	3386	1.44
2	A₁	3078	2955	43.79
3	A₁	1671	1605	48.34
4	A₁	1490	1430	0.52
5	A₁	1110	1066	37.84
6	A₁	869	835	3.09
7	A₁	456	437	4.43
8	A₂	3613	3469	0.00
9	A₂	1404	1348	0.00
10	A₂	1078	1035	0.00
11	A₂	267	256	0.00
12	B₁	3611	3467	0.00
13	B₁	3120	2995	30.55
14	B₁	1374	1319	0.65
15	B₁	850	816	0.42
16	B₁	408	392	92.11
17	B₂	3528	3387	0.04
18	B₂	1663	1597	4.04
19	B₂	1393	1337	21.14
20	B₂	1103	1059	84.08
21	B₂	783	752	430.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.255	-0.183
N3	0.000	-1.255	-0.183
H4	0.874	0.000	1.201
H5	-0.874	0.000	1.201
H6	0.813	1.317	-0.782
H7	-0.813	1.317	-0.782
H8	-0.813	-1.317	-0.782
H9	0.813	-1.317	-0.782

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4526	1.4526	1.0910	1.0910	2.0417	2.0417	2.0417	2.0417
N2	1.4526		2.5101	2.0626	2.0626	1.0124	1.0124	2.7638	2.7638
N3	1.4526	2.5101		2.0626	2.0626	2.7638	2.7638	1.0124	1.0124
H4	1.0910	2.0626	2.0626		1.7489	2.3817	2.9185	2.9185	2.3817
H5	1.0910	2.0626	2.0626	1.7489		2.9185	2.3817	2.3817	2.9185
H6	2.0417	1.0124	2.7638	2.3817	2.9185		1.6268	3.0966	2.6349
H7	2.0417	1.0124	2.7638	2.9185	2.3817	1.6268		2.6349	3.0966
H8	2.0417	2.7638	1.0124	2.9185	2.3817	3.0966	2.6349		1.6268
H9	2.0417	2.7638	1.0124	2.3817	2.9185	2.6349	3.0966	1.6268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.574	C1	N2	H7	110.574
C1	N3	H8	110.574	C1	N3	H9	110.574
N2	C1	N3	119.539	N2	C1	H4	107.522
N2	C1	H5	107.522	N3	C1	H4	107.522
N3	C1	H5	107.522	H4	C1	H5	106.550
H6	N2	H7	106.923	H8	N3	H9	106.923

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: B1B95/6-311G**

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	-0.078
2	N	-0.465
3	N	-0.465
4	H	0.137
5	H	0.137
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	53.381
(<r²>)^1/2	7.306

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)