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	hartrees
Energy at 0K	-150.956787
Energy at 298.15K	-150.964785
HF Energy	-150.309315
Counterpoise corrected energy	-150.956787
CP Energy at 298.15K	-150.964785
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.342667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3533	3381	0.21
2	A₁	3090	2958	29.48
3	A₁	1686	1614	44.14
4	A₁	1521	1455	0.12
5	A₁	1115	1067	37.93
6	A₁	870	833	2.45
7	A₁	461	441	2.62
8	A₂	3621	3465	0.00
9	A₂	1421	1359	0.00
10	A₂	1086	1039	0.00
11	A₂	254	243	0.00
12	B₁	3619	3463	4.16
13	B₁	3137	3002	21.09
14	B₁	1391	1331	0.32
15	B₁	859	822	0.83
16	B₁	371	355	83.52
17	B₂	3534	3382	3.97
18	B₂	1676	1604	7.53
19	B₂	1412	1351	20.00
20	B₂	1118	1070	80.06
21	B₂	810	775	353.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.255	-0.186
N3	0.000	-1.255	-0.186
H4	0.877	0.000	1.202
H5	-0.877	0.000	1.202
H6	0.813	1.317	-0.784
H7	-0.813	1.317	-0.784
H8	-0.813	-1.317	-0.784
H9	0.813	-1.317	-0.784

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4576	1.4576	1.0896	1.0896	2.0471	2.0471	2.0471	2.0471
N2	1.4576		2.5105	2.0663	2.0663	1.0116	1.0116	2.7637	2.7637
N3	1.4576	2.5105		2.0663	2.0663	2.7637	2.7637	1.0116	1.0116
H4	1.0896	2.0663	2.0663		1.7544	2.3838	2.9216	2.9216	2.3838
H5	1.0896	2.0663	2.0663	1.7544		2.9216	2.3838	2.3838	2.9216
H6	2.0471	1.0116	2.7637	2.3838	2.9216		1.6266	3.0965	2.6349
H7	2.0471	1.0116	2.7637	2.9216	2.3838	1.6266		2.6349	3.0965
H8	2.0471	2.7637	1.0116	2.9216	2.3838	3.0965	2.6349		1.6266
H9	2.0471	2.7637	1.0116	2.3838	2.9216	2.6349	3.0965	1.6266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.707	C1	N2	H7	110.707
C1	N3	H8	110.707	C1	N3	H9	110.707
N2	C1	N3	118.897	N2	C1	H4	107.549
N2	C1	H5	107.549	N3	C1	H4	107.549
N3	C1	H5	107.549	H4	C1	H5	107.235
H6	N2	H7	107.018	H8	N3	H9	107.018

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: CCD/aug-cc-pVTZ

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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)