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	hartrees
Energy at 0K	-150.273719
Energy at 298.15K	-150.281847
HF Energy	-150.273719
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.704645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3716	3384	0.05
2	A₁	3210	2923	49.22
3	A₁	1784	1625	49.37
4	A₁	1602	1459	0.12
5	A₁	1163	1059	52.18
6	A₁	932	848	5.88
7	A₁	486	443	2.07
8	A₂	3801	3461	0.00
9	A₂	1501	1366	0.00
10	A₂	1141	1039	0.00
11	A₂	265	241	0.00
12	B₁	3800	3461	3.22
13	B₁	3251	2961	40.55
14	B₁	1472	1340	0.00
15	B₁	913	831	0.52
16	B₁	390	355	88.73
17	B₂	3716	3384	3.60
18	B₂	1779	1620	14.58
19	B₂	1499	1365	27.56
20	B₂	1178	1073	113.37
21	B₂	851	775	354.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.554
N2	0.000	1.247	-0.188
N3	0.000	-1.247	-0.188
H4	0.876	0.000	1.201
H5	-0.876	0.000	1.201
H6	0.809	1.328	-0.775
H7	-0.809	1.328	-0.775
H8	-0.809	-1.328	-0.775
H9	0.809	-1.328	-0.775

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4509	1.4509	1.0885	1.0885	2.0457	2.0457	2.0457	2.0457
N2	1.4509		2.4943	2.0613	2.0613	1.0032	1.0032	2.7627	2.7627
N3	1.4509	2.4943		2.0613	2.0613	2.7627	2.7627	1.0032	1.0032
H4	1.0885	2.0613	2.0613		1.7513	2.3813	2.9164	2.9164	2.3813
H5	1.0885	2.0613	2.0613	1.7513		2.9164	2.3813	2.3813	2.9164
H6	2.0457	1.0032	2.7627	2.3813	2.9164		1.6185	3.1107	2.6565
H7	2.0457	1.0032	2.7627	2.9164	2.3813	1.6185		2.6565	3.1107
H8	2.0457	2.7627	1.0032	2.9164	2.3813	3.1107	2.6565		1.6185
H9	2.0457	2.7627	1.0032	2.3813	2.9164	2.6565	3.1107	1.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.633	C1	N2	H7	111.633
C1	N3	H8	111.633	C1	N3	H9	111.633
N2	C1	N3	118.537	N2	C1	H4	107.671
N2	C1	H5	107.671	N3	C1	H4	107.671
N3	C1	H5	107.671	H4	C1	H5	107.114
H6	N2	H7	107.541	H8	N3	H9	107.541

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	1.036
2	N	-0.341
3	N	-0.341
4	H	-0.114
5	H	-0.114
6	H	-0.032
7	H	-0.032
8	H	-0.032
9	H	-0.032

<r²>	53.470
(<r²>)^1/2	7.312

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)