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	hartrees
Energy at 0K	-115.487534
Energy at 298.15K	-115.490233
HF Energy	-115.217836
Nuclear repulsion energy	58.842338

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	3173	3008	0.00	227.43	0.05	0.09
2	A₁	1564	1483	0.00	39.45	0.59	0.74
3	A₁	1101	1044	0.00	20.26	0.31	0.48
4	B₁	930	882	0.00	29.27	0.75	0.86
5	B₂	3174	3009	1.07	40.31	0.75	0.86
6	B₂	2032	1926	20.65	0.34	0.75	0.86
7	B₂	1533	1453	2.08	0.80	0.75	0.86
8	E	3248	3079	3.30	88.22	0.75	0.86
8	E	3248	3079	3.30	88.22	0.75	0.86
9	E	1107	1049	0.56	0.52	0.75	0.86
9	E	1107	1049	0.56	0.52	0.75	0.86
10	E	937	889	69.11	0.01	0.75	0.86
10	E	937	889	69.11	0.01	0.75	0.86
11	E	329	312	5.09	3.29	0.75	0.86
11	E	329	312	5.09	3.29	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	0.924	1.887
H5	0.000	-0.924	1.887
H6	0.924	0.000	-1.887
H7	-0.924	0.000	-1.887

	C1	C2	C3	H4	H5	H6	H7
C1		1.3159	1.3159	2.1010	2.1010	2.1010	2.1010
C2	1.3159		2.6317	1.0864	1.0864	3.3333	3.3333
C3	1.3159	2.6317		3.3333	3.3333	1.0864	1.0864
H4	2.1010	1.0864	3.3333		1.8486	3.9934	3.9934
H5	2.1010	1.0864	3.3333	1.8486		3.9934	3.9934
H6	2.1010	3.3333	1.0864	3.9934	3.9934		1.8486
H7	2.1010	3.3333	1.0864	3.9934	3.9934	1.8486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.700	C1	C2	H5	121.700
C1	C3	H6	121.700	C1	C3	H7	121.700
C2	C1	C3	180.000	H4	C2	H5	116.599
H6	C3	H7	116.599

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)