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	hartrees
Energy at 0K	-192.906614
Energy at 298.15K	-192.912844
HF Energy	-192.906614
Nuclear repulsion energy	116.777385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3710	18.79
2	A	3264	3115	14.66
3	A	3192	3046	6.57
4	A	3171	3026	10.41
5	A	3027	2888	57.12
6	A	2982	2845	61.10
7	A	1755	1674	1.32
8	A	1521	1451	2.23
9	A	1483	1416	15.30
10	A	1430	1365	5.36
11	A	1315	1255	1.66
12	A	1282	1224	30.70
13	A	1245	1188	54.18
14	A	1167	1114	16.24
15	A	1112	1061	90.34
16	A	1040	992	14.31
17	A	975	931	9.14
18	A	954	911	38.52
19	A	927	885	2.25
20	A	655	625	4.86
21	A	451	431	4.08
22	A	327	312	9.06
23	A	259	247	128.74
24	A	118	112	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.452	0.270
C2	-0.664	-0.365	0.236
C3	-1.838	0.076	-0.205
O4	1.630	-0.301	-0.319
H5	0.420	1.407	-0.253
H6	0.824	0.694	1.320
H7	-0.565	-1.377	0.625
H8	-2.728	-0.544	-0.176
H9	-1.953	1.080	-0.609
H10	2.455	0.167	-0.161

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4937	2.4987	1.4152	1.1018	1.1041	2.1901	3.4897	2.7590	1.9389
C2	1.4937		1.3293	2.3616	2.1339	2.1237	1.0891	2.1128	2.1119	3.1893
C3	2.4987	1.3293		3.4907	2.6212	3.1295	2.1027	1.0855	1.0876	4.2945
O4	1.4152	2.3616	3.4907		2.0948	2.0803	2.6210	4.3678	3.8506	0.9617
H5	1.1018	2.1339	2.6212	2.0948		1.7739	3.0811	3.7045	2.4211	2.3853
H6	1.1041	2.1237	3.1295	2.0803	1.7739		2.5890	4.0488	3.4028	2.2656
H7	2.1901	1.0891	2.1027	2.6210	3.0811	2.5890		2.4528	3.0794	3.4823
H8	3.4897	2.1128	1.0855	4.3678	3.7045	4.0488	2.4528		1.8506	5.2323
H9	2.7590	2.1119	1.0876	3.8506	2.4211	3.4028	3.0794	1.8506		4.5235
H10	1.9389	3.1893	4.2945	0.9617	2.3853	2.2656	3.4823	5.2323	4.5235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.433	C1	C2	H7	115.085
C1	O4	H10	107.792	C2	C1	O4	108.522
C2	C1	H5	109.676	C2	C1	H6	108.746
C2	C3	H8	121.744	C2	C3	H9	121.485
C3	C2	H7	120.473	O4	C1	H5	112.058
O4	C1	H6	110.721	H5	C1	H6	107.065
H8	C3	H9	116.771

All results from a given calculation for C₃H₆O (2-Propen-1-ol)

using model chemistry: HSEh1PBE/6-31G**

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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Number	Element	Mulliken
1	C	-0.037
2	C	-0.054
3	C	-0.291
4	O	-0.544
5	H	0.109
6	H	0.116
7	H	0.131
8	H	0.129
9	H	0.121
10	H	0.320

	x	y	z	Total
	0.439	1.315	0.871	1.638
CHELPG
AIM
ESP

	x	y	z
x	7.335	-0.113	0.811
y	-0.113	4.788	-0.490
z	0.811	-0.490	3.593

<r²>	92.507
(<r²>)^1/2	9.618

All results from a given calculation for C3H6O (2-Propen-1-ol)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₃H₆O (2-Propen-1-ol)