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	hartrees
Energy at 0K	-234.500172
Energy at 298.15K	-234.511131
HF Energy	-234.170374
Nuclear repulsion energy	233.876939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3065	17.46
2	A	3126	2999	22.48
3	A	3118	2992	42.27
4	A	3082	2957	19.36
5	A	3081	2956	56.08
6	A	3071	2947	34.69
7	A	3061	2936	8.39
8	A	3035	2911	40.25
9	A	3024	2901	51.08
10	A	3019	2897	35.13
11	A	1711	1642	2.75
12	A	1520	1458	1.27
13	A	1503	1442	7.67
14	A	1500	1439	1.07
15	A	1495	1435	0.44
16	A	1493	1433	8.19
17	A	1423	1366	1.66
18	A	1370	1314	1.46
19	A	1336	1282	1.05
20	A	1331	1277	2.38
21	A	1295	1242	1.12
22	A	1257	1206	1.45
23	A	1242	1192	1.26
24	A	1179	1131	1.09
25	A	1162	1115	1.17
26	A	1099	1054	1.23
27	A	1046	1003	2.82
28	A	1035	993	5.53
29	A	1030	988	3.88
30	A	945	907	2.17
31	A	922	885	0.61
32	A	906	869	0.75
33	A	882	846	0.36
34	A	839	805	6.34
35	A	811	778	8.81
36	A	655	629	1.20
37	A	580	556	0.04
38	A	444	426	3.46
39	A	319	306	0.56
40	A	244	234	2.23
41	A	182	175	0.58
42	A	143	137	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.755	0.073	-0.003
H2	-0.340	2.170	-0.070
C3	0.026	1.154	-0.024
H4	-2.645	-0.449	0.857
H5	-2.600	-0.553	-0.891
H6	-2.673	1.030	-0.109
C7	-2.245	0.031	-0.039
H8	-0.031	-1.599	1.136
H9	-0.255	-1.970	-0.560
C10	0.071	-1.186	0.127
H11	1.750	-0.900	-1.204
H12	2.253	-1.224	0.445
C13	1.509	-0.709	-0.159
H14	1.869	1.070	1.082
H15	2.107	1.359	-0.628
C16	1.488	0.816	0.088

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1395	1.3339	2.1408	2.1414	2.1463	1.4916	2.1483	2.1755	1.5111	2.9434	3.3058	2.4001	3.0095	3.1990	2.3646
H2	2.1395		1.0815	3.6097	3.6327	2.5966	2.8646	3.9699	4.1702	3.3876	3.8837	4.3028	3.4235	2.7237	2.6377	2.2810
C3	1.3339	1.0815		3.2370	3.2498	2.7030	2.5337	2.9880	3.1819	2.3456	2.9298	3.2916	2.3851	2.1510	2.1762	1.5048
H4	2.1408	3.6097	3.2370		1.7517	1.7664	1.0924	2.8696	3.1679	2.9073	4.8752	4.9760	4.2844	4.7683	5.2962	4.3901
H5	2.1414	3.6327	3.2498	1.7517		1.7670	1.0921	3.4358	2.7604	2.9278	4.3751	5.0782	4.1767	5.1480	5.0870	4.4211
H6	2.1463	2.5966	2.7030	1.7664	1.7670		1.0884	3.9296	3.8796	3.5349	4.9482	5.4453	4.5293	4.6957	4.8188	4.1711
C7	1.4916	2.8646	2.5337	1.0924	1.0921	1.0884		2.9907	2.8706	2.6222	4.2647	4.6954	3.8287	4.3894	4.5880	3.8172
H8	2.1483	3.9699	2.9880	2.8696	3.4358	3.9296	2.9907		1.7504	1.0950	3.0231	2.4154	2.2004	3.2773	4.0534	3.0395
H9	2.1755	4.1702	3.1819	3.1679	2.7604	3.8796	2.8706	1.7504		1.0916	2.3618	2.8024	2.2046	4.0558	4.0818	3.3493
C10	1.5111	3.3876	2.3456	2.9073	2.9278	3.5349	2.6222	1.0950	1.0916		2.1620	2.2055	1.5421	3.0396	3.3455	2.4535
H11	2.9434	3.8837	2.9298	4.8752	4.3751	4.9482	4.2647	3.0231	2.3618	2.1620		1.7548	1.0895	3.0205	2.3584	2.1640
H12	3.3058	4.3028	3.2916	4.9760	5.0782	5.4453	4.6954	2.4154	2.8024	2.2055	1.7548		1.0881	2.4121	2.8008	2.2078
C13	2.4001	3.4235	2.3851	4.2844	4.1767	4.5293	3.8287	2.2004	2.2046	1.5421	1.0895	1.0881		2.1993	2.2030	1.5451
H14	3.0095	2.7237	2.1510	4.7683	5.1480	4.6957	4.3894	3.2773	4.0558	3.0396	3.0205	2.4121	2.1993		1.7498	1.0944
H15	3.1990	2.6377	2.1762	5.2962	5.0870	4.8188	4.5880	4.0534	4.0818	3.3455	2.3584	2.8008	2.2030	1.7498		1.0907
C16	2.3646	2.2810	1.5048	4.3901	4.4211	4.1711	3.8172	3.0395	3.3493	2.4535	2.1640	2.2078	1.5451	1.0944	1.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.353	C1	C3	C16	112.675
C1	C7	H4	110.940	C1	C7	H5	111.010
C1	C7	H6	111.629	C1	C10	H8	110.017
C1	C10	H9	112.410	C1	C10	C13	103.639
H2	C3	C16	122.916	C3	C1	C7	127.370
C3	C1	C10	110.909	C3	C16	C13	102.880
C3	C16	H14	110.709	C3	C16	H15	112.981
H4	C7	H5	106.619	H4	C7	H6	108.187
H5	C7	H6	108.265	C7	C1	C10	121.676
H8	C10	H9	106.357	H8	C10	C13	111.989
H9	C10	C13	112.534	C10	C13	H11	109.277
C10	C13	H12	112.832	C10	C13	C16	105.256
H11	C13	H12	107.390	H11	C13	C16	109.225
H12	C13	C16	112.802	C13	C16	H14	111.729
C13	C16	H15	112.253	H14	C16	H15	106.413

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: B2PLYP/cc-pVTZ

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	0.058
2	H	0.129
3	C	-0.230
4	H	0.094
5	H	0.098
6	H	0.099
7	C	-0.289
8	H	0.091
9	H	0.092
10	C	-0.178
11	H	0.092
12	H	0.096
13	C	-0.184
14	H	0.089
15	H	0.094
16	C	-0.150

	x	y	z
x	11.721	0.774	0.049
y	0.774	10.645	-0.084
z	0.049	-0.084	7.798

<r²>	169.982
(<r²>)^1/2	13.038

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)