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	hartrees
Energy at 0K	-150.836215
Energy at 298.15K	-150.844198
HF Energy	-150.272044
Nuclear repulsion energy	82.725170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3492	3492	1.69
2	A₁	3077	3077	33.45
3	A₁	1665	1665	39.80
4	A₁	1491	1491	0.09
5	A₁	1107	1107	33.46
6	A₁	866	866	1.39
7	A₁	453	453	2.96
8	A₂	3581	3581	0.00
9	A₂	1400	1400	0.00
10	A₂	1075	1075	0.00
11	A₂	251	251	0.00
12	B₁	3580	3580	0.68
13	B₁	3124	3124	25.98
14	B₁	1374	1374	0.51
15	B₁	853	853	0.97
16	B₁	376	376	82.96
17	B₂	3491	3491	3.25
18	B₂	1658	1658	6.60
19	B₂	1393	1393	22.32
20	B₂	1110	1110	79.22
21	B₂	808	808	340.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.558
N2	0.000	1.265	-0.185
N3	0.000	-1.265	-0.185
H4	0.887	0.000	1.211
H5	-0.887	0.000	1.211
H6	0.818	1.321	-0.793
H7	-0.818	1.321	-0.793
H8	-0.818	-1.321	-0.793
H9	0.818	-1.321	-0.793

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4673	1.4673	1.1017	1.1017	2.0587	2.0587	2.0587	2.0587
N2	1.4673		2.5303	2.0827	2.0827	1.0207	1.0207	2.7793	2.7793
N3	1.4673	2.5303		2.0827	2.0827	2.7793	2.7793	1.0207	1.0207
H4	1.1017	2.0827	2.0827		1.7739	2.4012	2.9443	2.9443	2.4012
H5	1.1017	2.0827	2.0827	1.7739		2.9443	2.4012	2.4012	2.9443
H6	2.0587	1.0207	2.7793	2.4012	2.9443		1.6363	3.1070	2.6412
H7	2.0587	1.0207	2.7793	2.9443	2.4012	1.6363		2.6412	3.1070
H8	2.0587	2.7793	1.0207	2.9443	2.4012	3.1070	2.6412		1.6363
H9	2.0587	2.7793	1.0207	2.4012	2.9443	2.6412	3.1070	1.6363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.391	C1	N2	H7	110.391
C1	N3	H8	110.391	C1	N3	H9	110.391
N2	C1	N3	119.139	N2	C1	H4	107.483
N2	C1	H5	107.483	N3	C1	H4	107.483
N3	C1	H5	107.483	H4	C1	H5	107.241
H6	N2	H7	106.565	H8	N3	H9	106.565

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD=FULL/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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All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)