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	hartrees
Energy at 0K	-150.514212
Energy at 298.15K	-150.522148
HF Energy	-150.172358
Counterpoise corrected energy	-150.514212
CP Energy at 298.15K	-150.522148
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	82.039473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3514	3371	1.96
2	A₁	3054	2931	42.38
3	A₁	1751	1680	50.71
4	A₁	1532	1470	0.66
5	A₁	1089	1045	80.99
6	A₁	775	743	46.36
7	A₁	460	442	0.65
8	A₂	3628	3481	0.00
9	A₂	1416	1358	0.00
10	A₂	1082	1038	0.00
11	A₂	275	264	0.00
12	B₁	3628	3481	0.12
13	B₁	3105	2979	31.66
14	B₁	1394	1337	0.24
15	B₁	842	808	0.00
16	B₁	416	399	114.76
17	B₂	3515	3373	0.00
18	B₂	1741	1670	5.09
19	B₂	1425	1368	8.73
20	B₂	1091	1047	64.30
21	B₂	639	613	601.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.553
N2	0.000	1.273	-0.196
N3	0.000	-1.273	-0.196
H4	0.887	0.000	1.204
H5	-0.887	0.000	1.204
H6	0.841	1.436	-0.746
H7	-0.841	1.436	-0.746
H8	-0.841	-1.436	-0.746
H9	0.841	-1.436	-0.746

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4772	1.4772	1.1001	1.1001	2.1113	2.1113	2.1113	2.1113
N2	1.4772		2.5457	2.0900	2.0900	1.0179	1.0179	2.8890	2.8890
N3	1.4772	2.5457		2.0900	2.0900	2.8890	2.8890	1.0179	1.0179
H4	1.1001	2.0900	2.0900		1.7737	2.4224	2.9750	2.9750	2.4224
H5	1.1001	2.0900	2.0900	1.7737		2.9750	2.4224	2.4224	2.9750
H6	2.1113	1.0179	2.8890	2.4224	2.9750		1.6819	3.3279	2.8717
H7	2.1113	1.0179	2.8890	2.9750	2.4224	1.6819		2.8717	3.3279
H8	2.1113	2.8890	1.0179	2.9750	2.4224	3.3279	2.8717		1.6819
H9	2.1113	2.8890	1.0179	2.4224	2.9750	2.8717	3.3279	1.6819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.336	C1	N2	H7	114.336
C1	N3	H8	114.336	C1	N3	H9	114.336
N2	C1	N3	119.013	N2	C1	H4	107.473
N2	C1	H5	107.473	N3	C1	H4	107.473
N3	C1	H5	107.473	H4	C1	H5	107.444
H6	N2	H7	111.410	H8	N3	H9	111.410

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

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

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)