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	hartrees
Energy at 0K	-116.535678
Energy at 298.15K	-116.538398
HF Energy	-116.397224
Nuclear repulsion energy	59.060284

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	3183	3027	0.00	317.04	0.08	0.14
2	A₁	1506	1432	0.00	22.51	0.75	0.86
3	A₁	1109	1055	0.00	57.82	0.21	0.35
4	B₁	889	845	0.00	1.24	0.75	0.86
5	B₂	3181	3025	1.87	50.88	0.75	0.86
6	B₂	2050	1949	69.80	8.37	0.75	0.86
7	B₂	1453	1382	2.23	0.02	0.75	0.86
8	E	3266	3106	1.16	104.87	0.75	0.86
8	E	3266	3106	1.16	104.87	0.75	0.86
9	E	1032	982	0.72	0.00	0.75	0.86
9	E	1032	982	0.72	0.00	0.75	0.86
10	E	872	829	67.28	2.54	0.75	0.86
10	E	872	829	67.28	2.54	0.75	0.86
11	E	369	350	8.73	0.80	0.75	0.86
11	E	369	350	8.73	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.311
C3	0.000	0.000	-1.311
H4	0.000	0.927	1.872
H5	0.000	-0.927	1.872
H6	0.927	0.000	-1.872
H7	-0.927	0.000	-1.872

	C1	C2	C3	H4	H5	H6	H7
C1		1.3110	1.3110	2.0892	2.0892	2.0892	2.0892
C2	1.3110		2.6220	1.0839	1.0839	3.3154	3.3154
C3	1.3110	2.6220		3.3154	3.3154	1.0839	1.0839
H4	2.0892	1.0839	3.3154		1.8546	3.9672	3.9672
H5	2.0892	1.0839	3.3154	1.8546		3.9672	3.9672
H6	2.0892	3.3154	1.0839	3.9672	3.9672		1.8546
H7	2.0892	3.3154	1.0839	3.9672	3.9672	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.177	C1	C2	H5	121.177
C1	C3	H6	121.177	C1	C3	H7	121.177
C2	C1	C3	180.000	H4	C2	H5	117.647
H6	C3	H7	117.647

All results from a given calculation for CH₂CCH₂ (allene)

using model chemistry: B2PLYP=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₂CCH₂ (allene)