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	hartrees
Energy at 0K	-150.205568
Energy at 298.15K
HF Energy	-150.205568
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.070356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3792	3415	0.90
2	A₁	3267	2942	72.15
3	A₁	1837	1654	62.17
4	A₁	1638	1475	2.36
5	A₁	1131	1018	96.64
6	A₁	732	659	159.09
7	A₁	476	429	11.85
8	A₂	3921	3531	0.00
9	A₂	1507	1357	0.00
10	A₂	1115	1004	0.00
11	A₂	209	188	0.00
12	B₁	3922	3531	9.33
13	B₁	3325	2994	54.14
14	B₁	1454	1309	3.22
15	B₁	902	812	1.40
16	B₁	374	337	95.44
17	B₂	3794	3416	1.06
18	B₂	1829	1647	34.51
19	B₂	1525	1373	13.75
20	B₂	1175	1058	166.31
21	B₂	521	469	608.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.548
N2	0.000	1.251	-0.204
N3	0.000	-1.251	-0.204
H4	0.870	0.000	1.189
H5	-0.870	0.000	1.189
H6	0.834	1.478	-0.701
H7	-0.834	1.478	-0.701
H8	-0.834	-1.478	-0.701
H9	0.834	-1.478	-0.701

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4599	1.4599	1.0801	1.0801	2.1079	2.1079	2.1079	2.1079
N2	1.4599		2.5020	2.0645	2.0645	0.9975	0.9975	2.8970	2.8970
N3	1.4599	2.5020		2.0645	2.0645	2.8970	2.8970	0.9975	0.9975
H4	1.0801	2.0645	2.0645		1.7394	2.3999	2.9431	2.9431	2.3999
H5	1.0801	2.0645	2.0645	1.7394		2.9431	2.3999	2.3999	2.9431
H6	2.1079	0.9975	2.8970	2.3999	2.9431		1.6689	3.3951	2.9566
H7	2.1079	0.9975	2.8970	2.9431	2.3999	1.6689		2.9566	3.3951
H8	2.1079	2.8970	0.9975	2.9431	2.3999	3.3951	2.9566		1.6689
H9	2.1079	2.8970	0.9975	2.3999	2.9431	2.9566	3.3951	1.6689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	116.879	C1	N2	H7	116.879
C1	N3	H8	116.879	C1	N3	H9	116.879
N2	C1	N3	117.943	N2	C1	H4	107.800
N2	C1	H5	107.800	N3	C1	H4	107.800
N3	C1	H5	107.800	H4	C1	H5	107.251
H6	N2	H7	113.549	H8	N3	H9	113.549

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/SDD

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	-0.128
2	N	-0.732
3	N	-0.732
4	H	0.192
5	H	0.192
6	H	0.302
7	H	0.302
8	H	0.302
9	H	0.302

<r²>	54.624
(<r²>)^1/2	7.391

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)