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	hartrees
Energy at 0K	-269.514246
Energy at 298.15K	-269.527215
Nuclear repulsion energy	250.205063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3301	43.40
2	A	3511	3108	0.91
3	A	3507	3103	3.13
4	A	3504	3101	1.80
5	A	3497	3095	1.93
6	A	3478	3078	3.65
7	A	3462	3064	0.19
8	A	3366	2979	6.42
9	A	3358	2972	0.45
10	A	3332	2949	2.64
11	A	3328	2945	1.20
12	A	3270	2894	20.36
13	A	1702	1506	3.15
14	A	1692	1497	3.84
15	A	1689	1495	1.26
16	A	1686	1492	3.43
17	A	1682	1489	0.57
18	A	1667	1475	0.48
19	A	1604	1419	12.01
20	A	1583	1401	0.14
21	A	1565	1385	4.56
22	A	1538	1361	4.82
23	A	1486	1315	12.65
24	A	1451	1284	3.72
25	A	1435	1270	0.05
26	A	1386	1226	3.07
27	A	1353	1198	14.31
28	A	1283	1135	17.21
29	A	1237	1094	7.73
30	A	1199	1061	10.41
31	A	1178	1042	1.40
32	A	1140	1009	0.55
33	A	1089	964	1.24
34	A	1039	920	1.00
35	A	991	877	6.80
36	A	951	842	1.58
37	A	900	797	2.04
38	A	798	707	6.25
39	A	491	435	2.98
40	A	455	402	0.43
41	A	397	351	3.94
42	A	352	311	68.82
43	A	321	284	0.67
44	A	239	211	0.07
45	A	211	187	0.30
46	A	187	165	1.14
47	A	103	91	0.03
48	A	66	59	0.21

Number	Element	Mulliken
1	C	-0.243
2	H	0.080
3	H	0.071
4	H	0.080
5	O	-0.252
6	H	0.163
7	C	0.027
8	H	0.058
9	C	-0.143
10	H	0.075
11	C	-0.229
12	H	0.076
13	H	0.076
14	H	0.076
15	C	-0.137
16	H	0.071
17	H	0.071
18	H	0.079

	x	y	z	Total
	-0.227	1.113	-0.647	1.307
CHELPG
AIM
ESP

	x	y	z
x	5.496	0.101	0.103
y	0.101	4.228	-0.076
z	0.103	-0.076	3.882

All results from a given calculation for (2-Pentanol)

using model chemistry: B3PW91/STO-3G

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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<r²>	244.375
(<r²>)^1/2	15.633