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	hartrees
Energy at 0K	-196.444260
Energy at 298.15K	-196.455868
HF Energy	-196.444260
Nuclear repulsion energy	188.065839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3132	3010	85.54
2	A	3119	2998	13.62
3	A	3115	2994	27.49
4	A	3112	2991	17.98
5	A	3103	2983	29.66
6	A	3077	2957	46.73
7	A	3060	2942	52.34
8	A	3059	2940	1.21
9	A	3049	2931	37.72
10	A	3045	2927	19.24
11	A	1491	1434	0.09
12	A	1462	1406	3.98
13	A	1461	1405	2.77
14	A	1455	1398	4.41
15	A	1448	1392	0.11
16	A	1341	1289	0.40
17	A	1338	1286	0.45
18	A	1337	1285	0.01
19	A	1313	1262	0.45
20	A	1283	1233	0.04
21	A	1271	1222	0.90
22	A	1225	1177	0.36
23	A	1224	1176	0.14
24	A	1193	1146	0.20
25	A	1184	1138	0.02
26	A	1071	1029	0.04
27	A	1050	1009	0.01
28	A	991	953	0.31
29	A	961	924	1.12
30	A	936	900	1.40
31	A	925	889	1.21
32	A	911	875	0.62
33	A	874	840	0.82
34	A	821	789	0.17
35	A	758	729	0.92
36	A	609	585	0.15
37	A	536	515	1.65
38	A	276	265	0.01
39	A	31	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.020	-0.716	0.259
C2	-0.367	1.223	0.142
C3	-1.297	-0.002	0.002
C4	-0.364	-1.223	-0.146
C5	1.019	0.718	-0.257
H6	-0.343	1.559	1.190
H7	-0.700	2.082	-0.457
H8	-1.960	0.092	-0.869
H9	-1.951	-0.100	0.879
H10	-0.336	-1.551	-1.196
H11	-0.694	-2.087	0.446
H12	1.840	-1.329	-0.140
H13	1.118	-0.711	1.357
H14	1.121	0.713	-1.355
H15	1.836	1.334	0.144

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3867	2.4378	1.5283	1.5236	2.8101	3.3608	3.2873	3.0971	2.1572	2.2029	1.0989	1.1026	2.1581	2.2088
C2	2.3867		1.5442	2.4626	1.5291	1.1008	1.0984	2.1997	2.1914	3.0798	3.3402	3.3858	2.7248	2.1720	2.2066
C3	2.4378	1.5442		1.5436	2.4394	2.1814	2.2159	1.0988	1.0988	2.1812	2.2157	3.4089	2.8587	2.8635	3.4091
C4	1.5283	2.4626	1.5436		2.3856	3.0858	3.3362	2.1910	2.1982	1.1008	1.0985	2.2062	2.1718	2.7229	3.3851
C5	1.5236	1.5291	2.4394	2.3856		2.1584	2.2035	3.1055	3.2842	2.8042	3.3612	2.2081	2.1585	1.1026	1.0989
H6	2.8101	1.1008	2.1814	3.0858	2.1584		1.7643	3.0013	2.3315	3.9197	3.7378	3.8564	2.7047	3.0557	2.4280
H7	3.3608	1.0984	2.2159	3.3362	2.2035	1.7643		2.3916	2.8482	3.7249	4.2659	4.2641	3.7942	2.4487	2.7114
H8	3.2873	2.1997	1.0988	2.1910	3.1055	3.0013	2.3916		1.7586	2.3333	2.8431	4.1222	3.8830	3.1807	4.1209
H9	3.0971	2.1914	1.0988	2.1982	3.2842	2.3315	2.8482	1.7586		3.0037	2.3915	4.1137	3.1660	3.8850	4.1162
H10	2.1572	3.0798	2.1812	1.1008	2.8042	3.9197	3.7249	2.3333	3.0037		1.7645	2.4289	3.0561	2.6965	3.8513
H11	2.2029	3.3402	2.2157	1.0985	3.3612	3.7378	4.2659	2.8431	2.3915	1.7645		2.7087	2.4508	3.7920	4.2655
H12	1.0989	3.3858	3.4089	2.2062	2.2081	3.8564	4.2641	4.1222	4.1137	2.4289	2.7087		1.7731	2.4827	2.6774
H13	1.1026	2.7248	2.8587	2.1718	2.1585	2.7047	3.7942	3.8830	3.1660	3.0561	2.4508	1.7731		3.0638	2.4840
H14	2.1581	2.1720	2.8635	2.7229	1.1026	3.0557	2.4487	3.1807	3.8850	2.6965	3.7920	2.4827	3.0638		1.7731
H15	2.2088	2.2066	3.4091	3.3851	1.0989	2.4280	2.7114	4.1209	4.1162	3.8513	4.2655	2.6774	2.4840	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.044	C1	C4	H10	109.194
C1	C4	H11	112.978	C1	C5	C2	102.860
C1	C5	H14	109.481	C1	C5	H15	113.777
C2	C3	C4	105.792	C2	C3	H8	111.558
C2	C3	H9	110.898	C2	C5	H14	110.190
C2	C5	H15	113.191	C3	C2	C5	105.074
C3	C2	H6	109.992	C3	C2	H7	112.887
C3	C4	H10	110.008	C3	C4	H11	112.909
C4	C1	C5	102.831	C4	C1	H12	113.217
C4	C1	H13	110.230	C4	C3	H8	110.907
C4	C3	H9	111.476	C5	C1	H12	113.718
C5	C1	H13	109.513	C5	C2	H6	109.227
C5	C2	H7	112.966	H6	C2	H7	106.686
H8	C3	H9	106.303	H10	C4	H11	106.699
H12	C1	H13	107.293	H14	C5	H15	107.299

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B1B95/cc-pVDZ

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	-0.037
2	C	-0.037
3	C	-0.030
4	C	-0.037
5	C	-0.037
6	H	0.023
7	H	0.013
8	H	0.020
9	H	0.020
10	H	0.023
11	H	0.012
12	H	0.013
13	H	0.022
14	H	0.022
15	H	0.012

	x	y	z
x	8.225	0.000	-0.000
y	0.000	8.241	0.011
z	-0.000	0.011	7.368

<r²>	114.802
(<r²>)^1/2	10.715

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)