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	hartrees
Energy at 0K	-116.390689
Energy at 298.15K	-116.393381
HF Energy	-115.906607
Nuclear repulsion energy	59.173943

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	3024	0.00	341.30	0.06	0.11
2	A₁	1483	1413	0.00	18.16	0.74	0.85
3	A₁	1092	1041	0.00	45.83	0.12	0.21
4	B₁	892	850	0.00	0.57	0.75	0.86
5	B₂	3173	3024	0.12	30.20	0.75	0.86
6	B₂	2031	1935	53.30	3.03	0.75	0.86
7	B₂	1431	1364	3.05	0.46	0.75	0.86
8	E	3264	3110	0.01	85.80	0.75	0.86
8	E	3264	3110	0.01	85.80	0.75	0.86
9	E	1014	966	2.49	0.03	0.75	0.86
9	E	1014	966	2.49	0.03	0.75	0.86
10	E	860	819	52.09	1.69	0.75	0.86
10	E	860	819	52.09	1.69	0.75	0.86
11	E	356	339	6.86	0.41	0.75	0.86
11	E	356	339	6.86	0.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.309
C3	0.000	0.000	-1.309
H4	0.000	0.929	1.863
H5	0.000	-0.929	1.863
H6	0.929	0.000	-1.863
H7	-0.929	0.000	-1.863

	C1	C2	C3	H4	H5	H6	H7
C1		1.3091	1.3091	2.0814	2.0814	2.0814	2.0814
C2	1.3091		2.6182	1.0815	1.0815	3.3049	3.3049
C3	1.3091	2.6182		3.3049	3.3049	1.0815	1.0815
H4	2.0814	1.0815	3.3049		1.8584	3.9500	3.9500
H5	2.0814	1.0815	3.3049	1.8584		3.9500	3.9500
H6	2.0814	3.3049	1.0815	3.9500	3.9500		1.8584
H7	2.0814	3.3049	1.0815	3.9500	3.9500	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.779	C1	C2	H5	120.779
C1	C3	H6	120.779	C1	C3	H7	120.779
C2	C1	C3	180.000	H4	C2	H5	118.442
H6	C3	H7	118.442

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)