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	hartrees
Energy at 0K	-192.919303
Energy at 298.15K	-192.925534
HF Energy	-192.719514
Nuclear repulsion energy	116.244509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3663	22.56
2	A	3264	3129	13.94
3	A	3186	3054	6.61
4	A	3165	3033	9.86
5	A	3030	2905	58.40
6	A	2988	2864	62.02
7	A	1725	1653	1.22
8	A	1503	1440	0.94
9	A	1474	1413	15.34
10	A	1422	1363	4.59
11	A	1305	1251	1.30
12	A	1279	1226	35.29
13	A	1240	1188	48.10
14	A	1163	1115	13.97
15	A	1087	1042	82.67
16	A	1029	986	16.24
17	A	971	930	4.75
18	A	946	907	31.27
19	A	925	886	1.56
20	A	653	626	4.83
21	A	448	429	3.77
22	A	328	314	8.62
23	A	258	248	112.51
24	A	115	111	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.591	0.455	0.278
C2	-0.665	-0.362	0.248
C3	-1.843	0.076	-0.212
O4	1.630	-0.306	-0.329
H5	0.423	1.418	-0.244
H6	0.842	0.691	1.332
H7	-0.571	-1.376	0.650
H8	-2.735	-0.551	-0.184
H9	-1.952	1.081	-0.629
H10	2.458	0.166	-0.175

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4992	2.5117	1.4234	1.1071	1.1089	2.2012	3.5063	2.7721	1.9423
C2	1.4992		1.3383	2.3669	2.1430	2.1338	1.0952	2.1235	2.1236	3.1954
C3	2.5117	1.3383		3.4954	2.6332	3.1572	2.1145	1.0917	1.0936	4.3017
O4	1.4234	2.3669	3.4954		2.1056	2.0913	2.6358	4.3744	3.8529	0.9657
H5	1.1071	2.1430	2.6332	2.1056		1.7850	3.0972	3.7224	2.4298	2.3896
H6	1.1089	2.1338	3.1572	2.0913	1.7850		2.5949	4.0789	3.4359	2.2713
H7	2.2012	1.0952	2.1145	2.6358	3.0972	2.5949		2.4619	3.0959	3.4978
H8	3.5063	2.1235	1.0917	4.3744	3.7224	4.0789	2.4619		1.8648	5.2426
H9	2.7721	2.1236	1.0936	3.8529	2.4298	3.4359	3.0959	1.8648		4.5268
H10	1.9423	3.1954	4.3017	0.9657	2.3896	2.2713	3.4978	5.2426	4.5268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.455	C1	C2	H7	115.201
C1	O4	H10	107.219	C2	C1	O4	108.134
C2	C1	H5	109.701	C2	C1	H6	108.885
C2	C3	H8	121.493	C2	C3	H9	121.347
C3	C2	H7	120.340	O4	C1	H5	112.022
O4	C1	H6	110.737	H5	C1	H6	107.323
H8	C3	H9	117.159

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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-pVDZ

States and conformations

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