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	hartrees
Energy at 0K	-115.913928
Energy at 298.15K	-115.916843
HF Energy	-115.913928
Nuclear repulsion energy	59.881562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3282	2981	0.00	303.13	0.06	0.12
2	A₁	1607	1460	0.00	8.98	0.71	0.83
3	A₁	1174	1066	0.00	90.25	0.22	0.36
4	B₁	942	856	0.00	1.84	0.75	0.86
5	B₂	3279	2979	2.24	40.35	0.75	0.86
6	B₂	2171	1972	120.98	2.41	0.75	0.86
7	B₂	1545	1403	0.88	0.04	0.75	0.86
8	E	3360	3052	1.55	91.49	0.75	0.86
8	E	3360	3052	1.55	91.49	0.75	0.86
9	E	1109	1008	1.74	0.56	0.75	0.86
9	E	1109	1008	1.74	0.56	0.75	0.86
10	E	997	906	63.24	4.87	0.75	0.86
10	E	997	906	63.24	4.87	0.75	0.86
11	E	409	372	7.96	1.78	0.75	0.86
11	E	409	372	7.96	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.291
C3	0.000	0.000	-1.291
H4	0.000	0.921	1.843
H5	0.000	-0.921	1.843
H6	0.921	0.000	-1.843
H7	-0.921	0.000	-1.843

	C1	C2	C3	H4	H5	H6	H7
C1		1.2914	1.2914	2.0601	2.0601	2.0601	2.0601
C2	1.2914		2.5828	1.0733	1.0733	3.2668	3.2668
C3	1.2914	2.5828		3.2668	3.2668	1.0733	1.0733
H4	2.0601	1.0733	3.2668		1.8414	3.9091	3.9091
H5	2.0601	1.0733	3.2668	1.8414		3.9091	3.9091
H6	2.0601	3.2668	1.0733	3.9091	3.9091		1.8414
H7	2.0601	3.2668	1.0733	3.9091	3.9091	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.924	C1	C2	H5	120.924
C1	C3	H6	120.924	C1	C3	H7	120.924
C2	C1	C3	180.000	H4	C2	H5	118.152
H6	C3	H7	118.152

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: HF/cc-pVQZ

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	-0.046
2	C	-0.229
3	C	-0.229
4	H	0.126
5	H	0.126
6	H	0.126
7	H	0.126

<r²>	48.430
(<r²>)^1/2	6.959

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)