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	hartrees
Energy at 0K	-49.734548
Energy at 298.15K	-49.746599
HF Energy	-48.947018
Nuclear repulsion energy	140.961942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3596	21.33
2	A	3187	3026	102.43
3	A	3178	3017	13.62
4	A	3166	3006	3.45
5	A	3152	2992	8.24
6	A	3110	2953	36.26
7	A	3103	2946	45.76
8	A	3097	2941	42.59
9	A	3090	2933	24.26
10	A	3057	2903	56.75
11	A	1554	1475	2.73
12	A	1529	1452	5.49
13	A	1526	1449	5.31
14	A	1512	1436	0.95
15	A	1449	1376	2.10
16	A	1399	1328	34.32
17	A	1366	1297	0.44
18	A	1347	1279	2.90
19	A	1328	1261	5.23
20	A	1318	1251	7.83
21	A	1296	1230	14.99
22	A	1270	1206	13.21
23	A	1247	1184	14.60
24	A	1214	1152	2.63
25	A	1193	1132	3.05
26	A	1113	1057	40.92
27	A	1100	1044	56.74
28	A	1077	1022	4.05
29	A	999	948	2.65
30	A	985	935	4.82
31	A	941	893	4.88
32	A	918	871	0.89
33	A	896	851	0.38
34	A	827	785	0.22
35	A	778	738	4.25
36	A	611	580	0.45
37	A	535	508	6.54
38	A	463	439	8.74
39	A	355	337	23.91
40	A	306	290	123.54
41	A	189	180	1.07
42	A	37	35	0.81

Atom	x (Å)	y (Å)	z (Å)
H1	-1.993	1.076	-1.016
H2	-2.052	1.296	0.747
C3	-1.501	0.795	-0.068
H4	-2.253	-1.259	-0.516
H5	-1.732	-1.016	1.171
C6	-1.500	-0.762	0.121
H7	0.113	-1.238	-1.302
H8	0.220	-2.179	0.223
C9	-0.053	-1.201	-0.210
H10	0.213	2.094	0.550
H11	0.333	1.453	-1.119
C12	0.005	1.216	-0.090
H13	0.796	-0.114	1.470
C14	0.784	-0.046	0.361
H15	2.629	0.620	0.241
O16	2.131	-0.124	-0.151

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7777	1.1039	2.4025	3.0380	2.2167	3.1417	4.1264	3.0980	2.8900	2.3580	2.2066	3.9208	3.2957	4.8111	4.3804
H2	1.7777		1.1043	2.8571	2.3720	2.2205	3.9123	4.1844	3.3385	2.4097	3.0320	2.2225	3.2589	3.1605	4.7565	4.5071
C3	1.1039	1.1043		2.2327	2.2068	1.5683	2.8739	3.4482	2.4699	2.2377	2.2133	1.5641	2.9101	2.4718	4.1452	3.7467
H4	2.4025	2.8571	2.2327		1.7823	1.1041	2.4930	2.7397	2.2219	4.2962	3.7952	3.3773	3.8144	3.3851	5.2854	4.5425
H5	3.0380	2.3720	2.2068	1.7823		1.1054	3.0939	2.4620	2.1821	3.7203	3.9501	3.0968	2.7007	2.8152	4.7500	4.1789
C6	2.2167	2.2205	1.5683	1.1041	1.1054		2.2031	2.2309	1.5481	3.3576	3.1307	2.4944	2.7408	2.4052	4.3559	3.6962
H7	3.1417	3.9123	2.8739	2.4930	3.0939	2.2031		1.7957	1.1057	3.8130	2.7059	2.7390	3.0684	2.1533	3.4878	2.5764
H8	4.1264	4.1844	3.4482	2.7397	2.4620	2.2309	1.7957		1.1039	4.2849	3.8733	3.4159	2.4799	2.2104	3.6931	2.8309
C9	3.0980	3.3385	2.4699	2.2219	2.1821	1.5481	1.1057	1.1039		3.3913	2.8314	2.4203	2.1733	1.5358	3.2728	2.4352
H10	2.8900	2.4097	2.2377	4.2962	3.7203	3.3576	3.8130	4.2849	3.3913		1.7912	1.1058	2.4616	2.2223	2.8464	3.0137
H11	2.3580	3.0320	2.2133	3.7952	3.9501	3.1307	2.7059	3.8733	2.8314	1.7912		1.1054	3.0610	2.1538	2.7953	2.5794
C12	2.2066	2.2225	1.5641	3.3773	3.0968	2.4944	2.7390	3.4159	2.4203	1.1058	1.1054		2.1969	1.5494	2.7106	2.5128
H13	3.9208	3.2589	2.9101	3.8144	2.7007	2.7408	3.0684	2.4799	2.1733	2.4616	3.0610	2.1969		1.1111	2.3259	2.0995
C14	3.2957	3.1605	2.4718	3.3851	2.8152	2.4052	2.1533	2.2104	1.5358	2.2223	2.1538	1.5494	1.1111		1.9658	1.4431
H15	4.8111	4.7565	4.1452	5.2854	4.7500	4.3559	3.4878	3.6931	3.2728	2.8464	2.7953	2.7106	2.3259	1.9658		0.9775
O16	4.3804	4.5071	3.7467	4.5425	4.1789	3.6962	2.5764	2.8309	2.4352	3.0137	2.5794	2.5128	2.0995	1.4431	0.9775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	107.222	H1	C3	C6	110.901
H1	C3	C12	110.404	H2	C3	C6	111.182
H2	C3	C12	111.629	C3	C6	H4	112.160
C3	C6	H5	110.045	C3	C6	C9	104.843
C3	C12	H10	112.753	C3	C12	H11	110.838
C3	C12	C14	105.101	H4	C6	H5	107.542
H4	C6	C9	112.729	H5	C6	C9	109.510
C6	C3	C12	105.560	C6	C9	H7	111.140
C6	C9	H8	113.478	C6	C9	C14	102.502
H7	C9	H8	108.721	H7	C9	C14	108.109
H8	C9	C14	112.700	C9	C14	C12	103.343
C9	C14	H13	109.332	C9	C14	O16	109.628
H10	C12	H11	108.204	H10	C12	C14	112.565
H11	C12	C14	107.254	C12	C14	H13	110.237
C12	C14	O16	114.167	H13	C14	O16	109.889
C14	O16	H15	107.035

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: MP2/CEP-31G*

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 C5H10O (Cyclopentanol)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)