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	hartrees
Energy at 0K	-192.653941
Energy at 298.15K	-192.660237
HF Energy	-191.991335
Nuclear repulsion energy	116.889195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3942	3686	25.46
2	A	3294	3081	15.16
3	A	3227	3018	6.43
4	A	3203	2995	9.27
5	A	3098	2897	44.40
6	A	3055	2857	51.95
7	A	1752	1638	0.77
8	A	1549	1448	2.62
9	A	1519	1421	16.07
10	A	1466	1371	2.55
11	A	1342	1255	1.80
12	A	1318	1232	20.74
13	A	1277	1194	63.51
14	A	1194	1117	17.44
15	A	1110	1038	77.51
16	A	1024	958	24.95
17	A	988	924	4.76
18	A	938	878	2.11
19	A	891	833	37.04
20	A	662	619	4.61
21	A	451	421	3.02
22	A	346	324	12.55
23	A	270	252	128.21
24	A	122	114	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.439	0.309
C2	-0.671	-0.367	0.266
C3	-1.818	0.087	-0.229
O4	1.611	-0.292	-0.358
H5	0.420	1.409	-0.170
H6	0.867	0.619	1.353
H7	-0.601	-1.367	0.677
H8	-2.714	-0.517	-0.227
H9	-1.895	1.079	-0.655
H10	2.441	0.153	-0.187

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4963	2.4910	1.4231	1.0944	1.0957	2.1939	3.4797	2.7401	1.9394
C2	1.4963		1.3288	2.3675	2.1292	2.1261	1.0834	2.1066	2.1064	3.1883
C3	2.4910	1.3288		3.4525	2.5998	3.1619	2.1011	1.0804	1.0825	4.2602
O4	1.4231	2.3675	3.4525		2.0854	2.0762	2.6686	4.3329	3.7768	0.9574
H5	1.0944	2.1292	2.5998	2.0854		1.7731	3.0763	3.6786	2.3883	2.3802
H6	1.0957	2.1261	3.1619	2.0762	1.7731		2.5602	4.0759	3.4465	2.2511
H7	2.1939	1.0834	2.1011	2.6686	3.0763	2.5602		2.4502	3.0710	3.5093
H8	3.4797	2.1066	1.0804	4.3329	3.6786	4.0759	2.4502		1.8439	5.1989
H9	2.7401	2.1064	1.0825	3.7768	2.3883	3.4465	3.0710	1.8439		4.4592
H10	1.9394	3.1883	4.2602	0.9574	2.3802	2.2511	3.5093	5.1989	4.4592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.595	C1	C2	H7	115.584
C1	O4	H10	107.500	C2	C1	O4	108.353
C2	C1	H5	109.568	C2	C1	H6	109.244
C2	C3	H8	121.612	C2	C3	H9	121.413
C3	C2	H7	120.820	O4	C1	H5	111.195
O4	C1	H6	110.350	H5	C1	H6	108.111
H8	C3	H9	116.974

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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