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	hartrees
Energy at 0K	-192.248962
Energy at 298.15K	-192.255079
HF Energy	-191.868706
Nuclear repulsion energy	113.850912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3518	6.36
2	A	3256	3143	31.65
3	A	3183	3072	9.81
4	A	3141	3032	14.98
5	A	3078	2971	55.17
6	A	3014	2910	65.50
7	A	1666	1609	1.09
8	A	1544	1491	1.34
9	A	1495	1443	13.28
10	A	1433	1383	5.26
11	A	1330	1284	0.20
12	A	1275	1231	15.35
13	A	1222	1180	41.16
14	A	1163	1122	18.57
15	A	1018	983	30.55
16	A	986	952	9.06
17	A	959	926	82.61
18	A	911	880	8.54
19	A	886	855	48.55
20	A	649	627	5.45
21	A	436	421	3.71
22	A	329	318	15.29
23	A	242	234	185.64
24	A	106	102	2.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.584	0.500	0.292
C2	-0.677	-0.349	0.294
C3	-1.868	0.057	-0.240
O4	1.655	-0.334	-0.338
H5	0.427	1.430	-0.287
H6	0.880	0.761	1.327
H7	-0.586	-1.334	0.766
H8	-2.756	-0.579	-0.203
H9	-1.974	1.031	-0.729
H10	2.532	0.108	-0.252

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5201	2.5473	1.4973	1.1065	1.1077	2.2262	3.5445	2.8050	2.0611
C2	1.5201		1.3664	2.4167	2.1728	2.1737	1.0962	2.1498	2.1524	3.2875
C3	2.5473	1.3664		3.5460	2.6745	3.2409	2.1426	1.0932	1.0950	4.4003
O4	1.4973	2.4167	3.5460		2.1501	2.1383	2.6908	4.4200	3.8973	0.9856
H5	1.1065	2.1728	2.6745	2.1501		1.8052	3.1263	3.7650	2.4741	2.4864
H6	1.1077	2.1737	3.2409	2.1383	1.8052		2.6176	4.1667	3.5286	2.3771
H7	2.2262	1.0962	2.1426	2.6908	3.1263	2.6176		2.4940	3.1236	3.5828
H8	3.5445	2.1498	1.0932	4.4200	3.7650	4.1667	2.4940		1.8654	5.3328
H9	2.8050	2.1524	1.0950	3.8973	2.4741	3.5286	3.1236	1.8654		4.6248
H10	2.0611	3.2875	4.4003	0.9856	2.4864	2.3771	3.5828	5.3328	4.6248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.801	C1	C2	H7	115.663
C1	O4	H10	110.527	C2	C1	O4	106.434
C2	C1	H5	110.642	C2	C1	H6	110.644
C2	C3	H8	121.462	C2	C3	H9	121.570
C3	C2	H7	120.534	O4	C1	H5	110.429
O4	C1	H6	109.431	H5	C1	H6	109.229
H8	C3	H9	116.967

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

using model chemistry: MP2/SDD

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: MP2/SDD

States and conformations

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