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	hartrees
Energy at 0K	-116.446104
Energy at 298.15K
HF Energy	-116.354074
Nuclear repulsion energy	58.848844

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	3175	3175	0.00	290.73	0.05	0.10
2	A₁	1538	1538	0.00	34.53	0.59	0.74
3	A₁	1114	1114	0.00	43.04	0.31	0.47
4	B₁	905	905	0.00	25.35	0.75	0.86
5	B₂	3174	3174	4.25	49.20	0.75	0.86
6	B₂	2064	2064	43.94	0.16	0.75	0.86
7	B₂	1499	1499	3.47	0.36	0.75	0.86
8	E	3252	3252	6.77	106.34	0.75	0.86
8	E	3252	3252	6.77	106.34	0.75	0.86
9	E	1077	1077	0.31	0.56	0.75	0.86
9	E	1077	1077	0.31	0.56	0.75	0.86
10	E	930	930	72.13	0.06	0.75	0.86
10	E	930	930	72.13	0.06	0.75	0.86
11	E	365	365	4.31	3.61	0.75	0.86
11	E	365	365	4.31	3.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.316
C3	0.000	0.000	-1.316
H4	0.000	0.923	1.887
H5	0.000	-0.923	1.887
H6	0.923	0.000	-1.887
H7	-0.923	0.000	-1.887

	C1	C2	C3	H4	H5	H6	H7
C1		1.3157	1.3157	2.1012	2.1012	2.1012	2.1012
C2	1.3157		2.6314	1.0861	1.0861	3.3336	3.3336
C3	1.3157	2.6314		3.3336	3.3336	1.0861	1.0861
H4	2.1012	1.0861	3.3336		1.8468	3.9943	3.9943
H5	2.1012	1.0861	3.3336	1.8468		3.9943	3.9943
H6	2.1012	3.3336	1.0861	3.9943	3.9943		1.8468
H7	2.1012	3.3336	1.0861	3.9943	3.9943	1.8468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.761	C1	C2	H5	121.761
C1	C3	H6	121.761	C1	C3	H7	121.761
C2	C1	C3	180.000	H4	C2	H5	116.477
H6	C3	H7	116.477

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B2PLYP=FULLultrafine/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 CH2CCH2 (allene)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)