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	hartrees
Energy at 0K	-19.645060
Energy at 298.15K	-19.649150
HF Energy	-19.294522
Nuclear repulsion energy	35.824307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3132	0.36
2	A'	3193	3042	17.14
3	A'	3113	2966	12.37
4	A'	3073	2928	28.17
5	A'	1870	1781	7.17
6	A'	1531	1458	10.33
7	A'	1446	1378	3.19
8	A'	1304	1242	1.93
9	A'	1153	1099	5.05
10	A'	955	910	2.48
11	A'	849	808	15.53
12	A'	418	398	8.87
13	A"	3159	3010	21.41
14	A"	1520	1448	9.30
15	A"	1120	1067	7.30
16	A"	937	893	11.94
17	A"	677	645	77.73
18	A"	208	198	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.450	0.000
C2	1.296	0.354	0.000
C3	-0.968	-0.718	0.000
H4	-0.444	1.453	0.000
H5	2.130	1.046	0.000
H6	-0.427	-1.666	0.000
H7	-1.613	-0.676	0.885
H8	-1.613	-0.676	-0.885

	C1	C2	C3	H4	H5	H6	H7	H8
C1		1.2992	1.5163	1.0970	2.2118	2.1583	2.1561	2.1561
C2	1.2992		2.5047	2.0574	1.0837	2.6550	3.2096	3.2096
C3	1.5163	2.5047		2.2327	3.5647	1.0921	1.0953	1.0953
H4	1.0970	2.0574	2.2327		2.6058	3.1189	2.5841	2.5841
H5	2.2118	1.0837	3.5647	2.6058		3.7272	4.2134	4.2134
H6	2.1583	2.6550	1.0921	3.1189	3.7272		1.7804	1.7804
H7	2.1561	3.2096	1.0953	2.5841	4.2134	1.7804		1.7692
H8	2.1561	3.2096	1.0953	2.5841	4.2134	1.7804	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	136.129	C1	C3	H6	110.616
C1	C3	H7	110.254	C1	C3	H8	110.254
C2	C1	C3	125.467	C2	C1	H4	118.077
C3	C1	H4	116.455	H6	C3	H7	108.962
H6	C3	H8	108.962	H7	C3	H8	107.727

All results from a given calculation for CH₃CHCH (1-propenyl radical)

using model chemistry: MP2/CEP-121G*

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 CH3CHCH (1-propenyl radical)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for CH₃CHCH (1-propenyl radical)