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	hartrees
Energy at 0K	-150.258108
Energy at 298.15K	-150.266322
HF Energy	-150.258108
Counterpoise corrected energy
CP Energy at 298.15K
Counterpoise optimized geometry corrected energy
CP opt. Energy at 298.15K
Nuclear repulsion energy	83.777342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3701	3360	0.08
2	A₁	3209	2914	62.51
3	A₁	1793	1628	41.32
4	A₁	1602	1455	0.01
5	A₁	1187	1078	52.50
6	A₁	972	883	0.65
7	A₁	492	447	5.25
8	A₂	3780	3432	0.00
9	A₂	1509	1370	0.00
10	A₂	1152	1046	0.00
11	A₂	290	263	0.00
12	B₁	3779	3431	0.21
13	B₁	3253	2954	47.82
14	B₁	1482	1346	0.11
15	B₁	920	835	0.88
16	B₁	418	380	95.64
17	B₂	3701	3361	0.05
18	B₂	1789	1625	7.32
19	B₂	1508	1369	40.09
20	B₂	1188	1079	112.03
21	B₂	902	819	358.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.555
N2	0.000	1.246	-0.185
N3	0.000	-1.246	-0.185
H4	0.876	0.000	1.205
H5	-0.876	0.000	1.205
H6	0.806	1.301	-0.786
H7	-0.806	1.301	-0.786
H8	-0.806	-1.301	-0.786
H9	0.806	-1.301	-0.786

	C1	N2	N3	H4	H5	H6	H7	H8	H9
C1		1.4491	1.4491	1.0909	1.0909	2.0352	2.0352	2.0352	2.0352
N2	1.4491		2.4915	2.0623	2.0623	1.0071	1.0071	2.7385	2.7385
N3	1.4491	2.4915		2.0623	2.0623	2.7385	2.7385	1.0071	1.0071
H4	1.0909	2.0623	2.0623		1.7514	2.3801	2.9137	2.9137	2.3801
H5	1.0909	2.0623	2.0623	1.7514		2.9137	2.3801	2.3801	2.9137
H6	2.0352	1.0071	2.7385	2.3801	2.9137		1.6129	3.0622	2.6030
H7	2.0352	1.0071	2.7385	2.9137	2.3801	1.6129		2.6030	3.0622
H8	2.0352	2.7385	1.0071	2.9137	2.3801	3.0622	2.6030		1.6129
H9	2.0352	2.7385	1.0071	2.3801	2.9137	2.6030	3.0622	1.6129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.625	C1	N2	H7	110.625
C1	N3	H8	110.625	C1	N3	H9	110.625
N2	C1	N3	118.558	N2	C1	H4	107.738
N2	C1	H5	107.738	N3	C1	H4	107.738
N3	C1	H5	107.738	H4	C1	H5	106.776
H6	N2	H7	106.411	H8	N3	H9	106.411

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)

using model chemistry: HF/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	0.188
2	N	-0.289
3	N	-0.289
4	H	0.039
5	H	0.039
6	H	0.078
7	H	0.078
8	H	0.078
9	H	0.078

<r²>	52.913
(<r²>)^1/2	7.274

All results from a given calculation for NH2CH2NH2 (diaminomethane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂NH₂ (diaminomethane)