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	hartrees
Energy at 0K	-193.044761
Energy at 298.15K	-193.050993
HF Energy	-192.785900
Nuclear repulsion energy	116.924762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3683	27.28
2	A	3246	3103	13.62
3	A	3179	3039	5.08
4	A	3161	3022	10.79
5	A	3042	2907	41.88
6	A	3004	2871	53.07
7	A	1717	1641	1.96
8	A	1529	1461	1.44
9	A	1486	1420	14.21
10	A	1436	1373	4.93
11	A	1324	1266	0.30
12	A	1289	1232	18.05
13	A	1244	1189	53.64
14	A	1174	1122	13.25
15	A	1067	1020	89.37
16	A	1041	995	17.80
17	A	979	935	18.12
18	A	967	925	32.31
19	A	929	888	1.47
20	A	663	634	5.66
21	A	449	429	3.44
22	A	335	321	9.58
23	A	236	226	112.06
24	A	115	110	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.584	0.452	0.288
C2	-0.667	-0.358	0.259
C3	-1.826	0.076	-0.221
O4	1.619	-0.301	-0.339
H5	0.419	1.406	-0.220
H6	0.850	0.667	1.328
H7	-0.586	-1.355	0.671
H8	-2.713	-0.538	-0.198
H9	-1.921	1.064	-0.650
H10	2.454	0.142	-0.174

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4911	2.4915	1.4255	1.0929	1.0947	2.1865	3.4762	2.7440	1.9513
C2	1.4911		1.3269	2.3637	2.1263	2.1206	1.0819	2.1033	2.1022	3.1906
C3	2.4915	1.3269		3.4673	2.6093	3.1474	2.0934	1.0789	1.0807	4.2807
O4	1.4255	2.3637	3.4673		2.0891	2.0760	2.6441	4.3404	3.8068	0.9596
H5	1.0929	2.1263	2.6093	2.0891		1.7686	3.0701	3.6860	2.4043	2.3957
H6	1.0947	2.1206	3.1474	2.0760	1.7686		2.5655	4.0583	3.4273	2.2598
H7	2.1865	1.0819	2.0934	2.6441	3.0701	2.5655		2.4388	3.0624	3.4919
H8	3.4762	2.1033	1.0789	4.3404	3.6860	4.0583	2.4388		1.8424	5.2114
H9	2.7440	2.1022	1.0807	3.8068	2.4043	3.4273	3.0624	1.8424		4.4968
H10	1.9513	3.1906	4.2807	0.9596	2.3957	2.2598	3.4919	5.2114	4.4968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.183	C1	C2	H7	115.458
C1	O4	H10	108.204	C2	C1	O4	108.257
C2	C1	H5	109.790	C2	C1	H6	109.231
C2	C3	H8	121.580	C2	C3	H9	121.311
C3	C2	H7	120.357	O4	C1	H5	111.422
O4	C1	H6	110.232	H5	C1	H6	107.891
H8	C3	H9	117.109

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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 C3H6O (2-Propen-1-ol)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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