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	hartrees
Energy at 0K	-116.700169
Energy at 298.15K	-116.704459
HF Energy	-116.428147
Nuclear repulsion energy	64.334431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3236	3054
2	A₁	3138	2962
3	A₁	3119	2944
4	A₁	1560	1472
5	A₁	1307	1234
6	A₁	1061	1001
7	A₁	438	414
8	A₂	788	744
9	A₂	566	534
10	B₁	1023	966
11	B₁	803	758
12	B₁	545	514
13	B₂	3233	3051
14	B₂	3131	2955
15	B₂	1529	1443
16	B₂	1457	1375
17	B₂	1180	1114
18	B₂	964	909

Atom	y (Å)	z (Å)
C1	0.000	0.449
H2	0.000	1.546
C3	1.239	-0.198
C4	-1.239	-0.198
H5	2.178	0.357
H6	-2.178	0.357
H7	1.309	-1.289
H8	-1.309	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0971	1.3973	1.3973	2.1800	2.1800	2.1760	2.1760
H2	1.0971		2.1390	2.1390	2.4816	2.4816	3.1229	3.1229
C3	1.3973	2.1390		2.4773	1.0910	3.4615	1.0937	2.7716
C4	1.3973	2.1390	2.4773		3.4615	1.0910	2.7716	1.0937
H5	2.1800	2.4816	1.0910	3.4615		4.3562	1.8614	3.8561
H6	2.1800	2.4816	3.4615	1.0910	4.3562		3.8561	1.8614
H7	2.1760	3.1229	1.0937	2.7716	1.8614	3.8561		2.6181
H8	2.1760	3.1229	2.7716	1.0937	3.8561	1.8614	2.6181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.870	C1	C3	H7	121.263
C1	C4	H6	121.870	C1	C4	H8	121.263
H2	C1	C3	117.571	H2	C1	C4	117.571
C3	C1	C4	124.858	H5	C3	H7	116.867
H6	C4	H8	116.867

All results from a given calculation for C₃H₅ (Allyl radical)

using model chemistry: MP4/6-31G

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 C3H5 (Allyl radical)

using model chemistry: MP4/6-31G

States and conformations

All results from a given calculation for C₃H₅ (Allyl radical)