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	hartrees
Energy at 0K	-19.640550
Energy at 298.15K	-19.644810
HF Energy	-19.321293
Nuclear repulsion energy	35.649500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3326	3135	25.56
2	A₁	3229	3044	4.28
3	A₁	3210	3026	13.96
4	A₁	1560	1471	3.66
5	A₁	1315	1240	0.38
6	A₁	1057	996	0.36
7	A₁	429	404	0.02
8	A₂	752	709	0.00
9	A₂	574	541	0.00
10	B₁	1069	1007	42.62
11	B₁	794	749	138.23
12	B₁	555	523	27.20
13	B₂	3319	3129	7.81
14	B₂	3209	3025	20.23
15	B₂	1534	1446	0.29
16	B₂	1422	1341	7.96
17	B₂	1177	1109	0.01
18	B₂	931	878	0.24

Atom	y (Å)	z (Å)
C1	0.000	0.462
H2	0.000	1.558
C3	1.240	-0.203
C4	-1.240	-0.203
H5	2.183	0.350
H6	-2.183	0.350
H7	1.288	-1.296
H8	-1.288	-1.296

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0961	1.4072	1.4072	2.1862	2.1862	2.1794	2.1794
H2	1.0961		2.1541	2.1541	2.4951	2.4951	3.1315	3.1315
C3	1.4072	2.1541		2.4800	1.0938	3.4678	1.0941	2.7538
C4	1.4072	2.1541	2.4800		3.4678	1.0938	2.7538	1.0941
H5	2.1862	2.4951	1.0938	3.4678		4.3667	1.8746	3.8417
H6	2.1862	2.4951	3.4678	1.0938	4.3667		3.8417	1.8746
H7	2.1794	3.1315	1.0941	2.7538	1.8746	3.8417		2.5752
H8	2.1794	3.1315	2.7538	1.0941	3.8417	1.8746	2.5752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.372	C1	C3	H7	120.712
C1	C4	H6	121.372	C1	C4	H8	120.712
H2	C1	C3	118.217	H2	C1	C4	118.217
C3	C1	C4	123.565	H5	C3	H7	117.916
H6	C4	H8	117.916

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H5 (Allyl radical)

using model chemistry: MP2=FULL/CEP-31G*

States and conformations

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