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	hartrees
Energy at 0K	-19.269816
Energy at 298.15K	-19.272406
HF Energy	-19.269816
Nuclear repulsion energy	31.041437

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	3136	3029	0.00	262.03	0.07	0.14
2	A₁	1471	1421	0.00	12.79	0.75	0.86
3	A₁	1100	1062	0.00	59.61	0.34	0.50
4	B₁	855	826	0.00	7.70	0.75	0.86
5	B₂	3132	3025	8.64	81.76	0.75	0.86
6	B₂	2057	1986	64.66	0.02	0.75	0.86
7	B₂	1410	1362	1.55	3.97	0.75	0.86
8	E	3209	3099	6.82	96.57	0.75	0.86
8	E	3209	3099	6.82	96.57	0.75	0.86
9	E	984	950	0.45	0.30	0.75	0.86
9	E	984	950	0.45	0.30	0.75	0.86
10	E	826	797	91.76	4.24	0.75	0.86
10	E	826	797	91.76	4.24	0.75	0.86
11	E	342	330	4.30	2.90	0.75	0.86
11	E	342	330	4.30	2.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.344
C3	0.000	0.000	-1.344
H4	0.000	0.941	1.908
H5	0.000	-0.941	1.908
H6	0.941	0.000	-1.908
H7	-0.941	0.000	-1.908

	C1	C2	C3	H4	H5	H6	H7
C1		1.3436	1.3436	2.1271	2.1271	2.1271	2.1271
C2	1.3436		2.6873	1.0968	1.0968	3.3848	3.3848
C3	1.3436	2.6873		3.3848	3.3848	1.0968	1.0968
H4	2.1271	1.0968	3.3848		1.8812	4.0408	4.0408
H5	2.1271	1.0968	3.3848	1.8812		4.0408	4.0408
H6	2.1271	3.3848	1.0968	4.0408	4.0408		1.8812
H7	2.1271	3.3848	1.0968	4.0408	4.0408	1.8812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.955	C1	C2	H5	120.955
C1	C3	H6	120.955	C1	C3	H7	120.955
C2	C1	C3	180.000	H4	C2	H5	118.090
H6	C3	H7	118.090

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	0.015
2	C	-0.420
3	C	-0.420
4	H	0.206
5	H	0.206
6	H	0.206
7	H	0.206

<r²>	43.691
(<r²>)^1/2	6.610

All results from a given calculation for CH2CCH2 (allene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)