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	hartrees
Energy at 0K	-150.910700
Energy at 298.15K	-150.918743
HF Energy	-150.300657
Nuclear repulsion energy	83.276884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3528	3343	0.61
2	A₁	3100	2937	36.39
3	A₁	1683	1595	51.75
4	A₁	1512	1433	0.11
5	A₁	1130	1071	41.22
6	A₁	892	845	1.58
7	A₁	461	436	4.80
8	A₂	3618	3428	0.00
9	A₂	1432	1357	0.00
10	A₂	1094	1036	0.00
11	A₂	258	244	0.00
12	B₁	3617	3427	0.03
13	B₁	3148	2983	28.42
14	B₁	1399	1325	0.16
15	B₁	869	824	2.08
16	B₁	396	375	96.98
17	B₂	3528	3343	1.06
18	B₂	1674	1586	5.23
19	B₂	1440	1364	27.74
20	B₂	1114	1056	75.37
21	B₂	834	790	407.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.556
N2	0.000	1.256	-0.186
N3	0.000	-1.256	-0.186
H4	0.878	0.000	1.201
H5	-0.878	0.000	1.201
H6	0.816	1.316	-0.784
H7	-0.816	1.316	-0.784
H8	-0.816	-1.316	-0.784
H9	0.816	-1.316	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4588	1.4588	1.0901	1.0901	2.0472	2.0472	2.0472	2.0472
N2	1.4588		2.5126	2.0674	2.0674	1.0133	1.0133	2.7637	2.7637
N3	1.4588	2.5126		2.0674	2.0674	2.7637	2.7637	1.0133	1.0133
H4	1.0901	2.0674	2.0674		1.7566	2.3825	2.9227	2.9227	2.3825
H5	1.0901	2.0674	2.0674	1.7566		2.9227	2.3825	2.3825	2.9227
H6	2.0472	1.0133	2.7637	2.3825	2.9227		1.6316	3.0960	2.6312
H7	2.0472	1.0133	2.7637	2.9227	2.3825	1.6316		2.6312	3.0960
H8	2.0472	2.7637	1.0133	2.9227	2.3825	3.0960	2.6312		1.6316
H9	2.0472	2.7637	1.0133	2.3825	2.9227	2.6312	3.0960	1.6316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.514	C1	N2	H7	110.514
C1	N3	H8	110.514	C1	N3	H9	110.514
N2	C1	N3	118.902	N2	C1	H4	107.521
N2	C1	H5	107.521	N3	C1	H4	107.521
N3	C1	H5	107.521	H4	C1	H5	107.356
H6	N2	H7	107.231	H8	N3	H9	107.231

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)