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	hartrees
Energy at 0K	-195.234595
Energy at 298.15K
HF Energy	-195.234595
Nuclear repulsion energy	188.368881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	2926	158.39
2	A	3211	2910	16.91
3	A	3208	2908	42.44
4	A	3207	2907	41.68
5	A	3193	2894	62.98
6	A	3184	2886	79.49
7	A	3164	2868	36.10
8	A	3162	2866	17.81
9	A	3154	2858	41.97
10	A	3148	2854	18.62
11	A	1649	1494	0.09
12	A	1621	1469	2.06
13	A	1621	1469	2.12
14	A	1613	1462	3.55
15	A	1607	1456	0.03
16	A	1477	1339	0.01
17	A	1475	1337	0.04
18	A	1462	1325	0.02
19	A	1438	1304	0.41
20	A	1427	1294	0.02
21	A	1387	1257	0.69
22	A	1342	1216	0.34
23	A	1338	1213	0.24
24	A	1313	1190	0.33
25	A	1290	1169	0.02
26	A	1124	1019	0.01
27	A	1105	1002	0.00
28	A	1075	974	0.32
29	A	1042	945	0.72
30	A	963	873	1.55
31	A	958	868	1.53
32	A	935	848	0.26
33	A	935	847	0.52
34	A	882	800	0.05
35	A	823	746	0.44
36	A	661	599	0.03
37	A	587	532	0.71
38	A	282	256	0.01
39	A	4i	4i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.902	-0.868	0.254
C2	-0.184	1.271	0.126
C3	-1.285	0.190	0.015
C4	-0.546	-1.156	-0.154
C5	1.124	0.560	-0.241
H6	-0.124	1.636	1.145
H7	-0.380	2.129	-0.504
H8	-1.943	0.378	-0.824
H9	-1.907	0.185	0.901
H10	-0.571	-1.466	-1.193
H11	-0.995	-1.953	0.425
H12	1.606	-1.580	-0.157
H13	1.000	-0.900	1.335
H14	1.258	0.554	-1.318
H15	1.996	1.035	0.191

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4021	2.4410	1.5308	1.5271	2.8488	3.3465	3.2875	3.0681	2.1492	2.1916	1.0830	1.0862	2.1494	2.1955
C2	2.4021		1.5475	2.4698	1.5330	1.0841	1.0825	2.1902	2.1791	3.0627	3.3377	3.3786	2.7525	2.1631	2.1936
C3	2.4410	1.5475		1.5449	2.4504	2.1720	2.2020	1.0825	1.0827	2.1700	2.2006	3.3945	2.8553	2.8941	3.3928
C4	1.5308	2.4698	1.5449		2.3953	3.1079	3.3077	2.1808	2.1826	1.0846	1.0826	2.1932	2.1611	2.7442	3.3728
C5	1.5271	1.5330	2.4504	2.3953		2.1532	2.1894	3.1272	3.2598	2.8073	3.3532	2.1953	2.1517	1.0860	1.0830
H6	2.8488	1.0841	2.1720	3.1079	2.1532		1.7405	2.9614	2.3111	3.9098	3.7621	3.8775	2.7803	3.0250	2.4016
H7	3.3465	1.0825	2.2020	3.3077	2.1894	1.7405		2.3690	2.8432	3.6651	4.2310	4.2219	3.8029	2.4139	2.7070
H8	3.2875	2.1902	1.0825	2.1808	3.1272	2.9614	2.3690		1.7364	2.3277	2.8091	4.1082	3.8674	3.2437	4.1207
H9	3.0681	2.1791	1.0827	2.1826	3.2598	2.3111	2.8432	1.7364		2.9823	2.3721	4.0714	3.1324	3.8827	4.0565
H10	2.1492	3.0627	2.1700	1.0846	2.8073	3.9098	3.6651	2.3277	2.9823		1.7421	2.4136	3.0296	2.7273	3.8413
H11	2.1916	3.3377	2.2006	1.0826	3.3532	3.7621	4.2310	2.8091	2.3721	1.7421		2.6916	2.4321	3.7943	4.2335
H12	1.0830	3.3786	3.3945	2.1932	2.1953	3.8775	4.2219	4.1082	4.0714	2.4136	2.6916		1.7489	2.4542	2.6663
H13	1.0862	2.7525	2.8553	2.1611	2.1517	2.7803	3.8029	3.8674	3.1324	3.0296	2.4321	1.7489		3.0367	2.4582
H14	2.1494	2.1631	2.8941	2.7442	1.0860	3.0250	2.4139	3.2437	3.8827	2.7273	3.7943	2.4542	3.0367		1.7479
H15	2.1955	2.1936	3.3928	3.3728	1.0830	2.4016	2.7070	4.1207	4.0565	3.8413	4.2335	2.6663	2.4582	1.7479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.053	C1	C4	H10	109.337
C1	C4	H11	112.864	C1	C5	C2	103.434
C1	C5	H14	109.523	C1	C5	H15	113.430
C2	C3	C4	106.006	C2	C3	H8	111.540
C2	C3	H9	110.641	C2	C5	H14	110.200
C2	C5	H15	112.840	C3	C2	C5	105.397
C3	C2	H6	109.993	C3	C2	H7	112.498
C3	C4	H10	109.999	C3	C4	H11	112.577
C4	C1	C5	103.126	C4	C1	H12	112.963
C4	C1	H13	110.179	C4	C3	H8	110.977
C4	C3	H9	111.110	C5	C1	H12	113.405
C5	C1	H13	109.687	C5	C2	H6	109.529
C5	C2	H7	112.531	H6	C2	H7	106.900
H8	C3	H9	106.641	H10	C4	H11	107.004
H12	C1	H13	107.451	H14	C5	H15	107.386

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: HF/Def2TZVPP

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	-0.068
2	C	-0.095
3	C	-0.101
4	C	-0.092
5	C	-0.073
6	H	0.043
7	H	0.051
8	H	0.048
9	H	0.047
10	H	0.042
11	H	0.050
12	H	0.040
13	H	0.033
14	H	0.034
15	H	0.042

	x	y	z	Total
	0.014	-0.005	0.000	0.015
CHELPG
AIM
ESP

	x	y	z
x	8.446	0.002	0.000
y	0.002	8.448	0.019
z	0.000	0.019	7.421

<r²>	115.038
(<r²>)^1/2	10.726

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)