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	hartrees
Energy at 0K	-192.568072
Energy at 298.15K	-192.574336
HF Energy	-191.928954
Nuclear repulsion energy	116.479976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3905	3676	14.15
2	A	3309	3115	19.05
3	A	3239	3049	6.98
4	A	3215	3027	11.85
5	A	3091	2910	58.23
6	A	3048	2869	59.33
7	A	1758	1655	0.43
8	A	1578	1486	1.69
9	A	1523	1434	13.68
10	A	1468	1382	6.91
11	A	1341	1263	0.60
12	A	1304	1227	29.32
13	A	1270	1196	58.77
14	A	1192	1122	22.11
15	A	1107	1042	72.05
16	A	1036	975	15.88
17	A	998	939	6.58
18	A	948	892	28.41
19	A	942	887	4.62
20	A	657	618	3.81
21	A	452	426	4.11
22	A	337	317	10.07
23	A	270	254	130.12
24	A	111	105	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.458	0.283
C2	-0.666	-0.364	0.255
C3	-1.836	0.077	-0.217
O4	1.625	-0.308	-0.328
H5	0.424	1.406	-0.243
H6	0.847	0.697	1.323
H7	-0.575	-1.366	0.661
H8	-2.725	-0.539	-0.197
H9	-1.940	1.070	-0.637
H10	2.451	0.171	-0.210

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4997	2.5045	1.4276	1.0966	1.0982	2.1960	3.4933	2.7593	1.9487
C2	1.4997		1.3369	2.3647	2.1376	2.1352	1.0847	2.1158	2.1159	3.1966
C3	2.5045	1.3369		3.4849	2.6222	3.1558	2.1078	1.0815	1.0833	4.2887
O4	1.4276	2.3647	3.4849		2.0955	2.0842	2.6340	4.3587	3.8353	0.9624
H5	1.0966	2.1376	2.6222	2.0955		1.7705	3.0821	3.7016	2.4202	2.3742
H6	1.0982	2.1352	3.1558	2.0842	1.7705		2.5923	4.0750	3.4283	2.2802
H7	2.1960	1.0847	2.1078	2.6340	3.0821	2.5923		2.4586	3.0793	3.5041
H8	3.4933	2.1158	1.0815	4.3587	3.7016	4.0750	2.4586		1.8432	5.2250
H9	2.7593	2.1159	1.0833	3.8353	2.4202	3.4283	3.0793	1.8432		4.5029
H10	1.9487	3.1966	4.2887	0.9624	2.3742	2.2802	3.5041	5.2250	4.5029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.898	C1	C2	H7	115.431
C1	O4	H10	107.659	C2	C1	O4	107.743
C2	C1	H5	109.867	C2	C1	H6	109.581
C2	C3	H8	121.705	C2	C3	H9	121.559
C3	C2	H7	120.667	O4	C1	H5	111.558
O4	C1	H6	110.542	H5	C1	H6	107.548
H8	C3	H9	116.735

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

using model chemistry: QCISD/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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All results from a given calculation for C3H6O (2-Propen-1-ol)

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

States and conformations

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