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	hartrees
Energy at 0K	-193.573735
Energy at 298.15K	-193.581041
HF Energy	-193.573735
Nuclear repulsion energy	162.846803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3118	6.67
2	A₁	3230	3067	6.97
3	A₁	3070	2916	21.96
4	A₁	1544	1466	8.78
5	A₁	1496	1420	0.03
6	A₁	1287	1222	2.33
7	A₁	1127	1070	3.84
8	A₁	1044	991	0.18
9	A₁	913	867	3.97
10	A₁	836	794	0.07
11	A₂	3086	2931	0.00
12	A₂	1275	1211	0.00
13	A₂	1009	958	0.00
14	A₂	633	601	0.00
15	A₂	128	121	0.00
16	B₁	3107	2950	30.30
17	B₁	1201	1141	1.18
18	B₁	978	929	6.99
19	B₁	820	778	0.96
20	B₁	615	584	82.06
21	B₁	433	411	10.48
22	B₂	3271	3106	5.37
23	B₂	3058	2904	25.64
24	B₂	1520	1443	2.23
25	B₂	1438	1366	10.34
26	B₂	1354	1286	1.50
27	B₂	1310	1244	10.67
28	B₂	1116	1060	0.51
29	B₂	914	868	13.67
30	B₂	750	712	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.270
C2	0.000	1.150	0.509
C3	0.000	-1.150	0.509
C4	0.000	0.778	-0.969
C5	0.000	-0.778	-0.969
H6	0.000	0.000	2.353
H7	0.000	2.207	0.729
H8	0.000	-2.207	0.729
H9	0.884	1.183	-1.477
H10	-0.884	1.183	-1.477
H11	0.884	-1.183	-1.477
H12	-0.884	-1.183	-1.477

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3787	1.3787	2.3706	2.3706	1.0833	2.2723	2.2723	3.1191	3.1191	3.1191	3.1191
C2	1.3787		2.3000	1.5247	2.4301	2.1730	1.0798	3.3643	2.1748	2.1748	3.1895	3.1895
C3	1.3787	2.3000		2.4301	1.5247	2.1730	3.3643	1.0798	3.1895	3.1895	2.1748	2.1748
C4	2.3706	1.5247	2.4301		1.5567	3.4124	2.2198	3.4350	1.0973	1.0973	2.2110	2.2110
C5	2.3706	2.4301	1.5247	1.5567		3.4124	3.4350	2.2198	2.2110	2.2110	1.0973	1.0973
H6	1.0833	2.1730	2.1730	3.4124	3.4124		2.7400	2.7400	4.1053	4.1053	4.1053	4.1053
H7	2.2723	1.0798	3.3643	2.2198	3.4350	2.7400		4.4142	2.5884	2.5884	4.1409	4.1409
H8	2.2723	3.3643	1.0798	3.4350	2.2198	2.7400	4.4142		4.1409	4.1409	2.5884	2.5884
H9	3.1191	2.1748	3.1895	1.0973	2.2110	4.1053	2.5884	4.1409		1.7689	2.3667	2.9548
H10	3.1191	2.1748	3.1895	1.0973	2.2110	4.1053	2.5884	4.1409	1.7689		2.9548	2.3667
H11	3.1191	3.1895	2.1748	2.2110	1.0973	4.1053	4.1409	2.5884	2.3667	2.9548		1.7689
H12	3.1191	3.1895	2.1748	2.2110	1.0973	4.1053	4.1409	2.5884	2.9548	2.3667	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.368	C1	C2	H7	134.759
C1	C3	C5	109.368	C1	C3	H8	134.759
C2	C1	C3	113.048	C2	C1	H6	123.476
C2	C4	C5	104.108	C2	C4	H9	111.028
C2	C4	H10	111.028	C3	C1	H6	123.476
C3	C5	C4	104.108	C3	C5	H11	111.028
C3	C5	H12	111.028	C4	C2	H7	115.873
C4	C5	H11	111.658	C4	C5	H12	111.658
C5	C3	H8	115.873	C5	C4	H9	111.658
C5	C4	H10	111.658	H9	C4	H10	107.417
H11	C5	H12	107.417

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: mPW1PW91/3-21G*

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	-0.223
2	C	-0.200
3	C	-0.200
4	C	-0.473
5	C	-0.473
6	H	0.215
7	H	0.217
8	H	0.217
9	H	0.230
10	H	0.230
11	H	0.230
12	H	0.230

<r²>	99.857
(<r²>)^1/2	9.993

All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)