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	hartrees
Energy at 0K	-192.543952
Energy at 298.15K	-192.550202
HF Energy	-191.937701
Nuclear repulsion energy	116.485984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3873	3643	28.74
2	A	3334	3136	12.09
3	A	3254	3061	5.50
4	A	3231	3039	8.44
5	A	3136	2950	36.14
6	A	3081	2898	50.42
7	A	1728	1625	0.42
8	A	1561	1468	1.38
9	A	1505	1416	15.99
10	A	1443	1358	8.06
11	A	1335	1256	0.12
12	A	1296	1219	11.73
13	A	1241	1167	50.73
14	A	1186	1115	25.47
15	A	1069	1006	91.96
16	A	1027	966	32.51
17	A	984	926	6.79
18	A	944	887	3.19
19	A	937	881	40.08
20	A	662	622	5.58
21	A	447	421	3.63
22	A	344	323	12.83
23	A	262	247	141.92
24	A	113	106	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.452	0.310
C2	-0.666	-0.362	0.280
C3	-1.821	0.081	-0.236
O4	1.608	-0.300	-0.361
H5	0.418	1.414	-0.185
H6	0.881	0.645	1.348
H7	-0.600	-1.355	0.711
H8	-2.714	-0.528	-0.226
H9	-1.897	1.064	-0.682
H10	2.458	0.131	-0.202

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4931	2.4955	1.4367	1.0945	1.0955	2.1978	3.4836	2.7426	1.9680
C2	1.4931		1.3402	2.3638	2.1320	2.1322	1.0845	2.1162	2.1154	3.1992
C3	2.4955	1.3402		3.4526	2.6068	3.1825	2.1092	1.0810	1.0828	4.2794
O4	1.4367	2.3638	3.4526		2.0940	2.0839	2.6713	4.3303	3.7753	0.9661
H5	1.0945	2.1320	2.6068	2.0940		1.7759	3.0830	3.6860	2.3939	2.4097
H6	1.0955	2.1322	3.1825	2.0839	1.7759		2.5686	4.0961	3.4660	2.2698
H7	2.1978	1.0845	2.1092	2.6713	3.0830	2.5686		2.4558	3.0782	3.5198
H8	3.4836	2.1162	1.0810	4.3303	3.6860	4.0961	2.4558		1.8472	5.2139
H9	2.7426	2.1154	1.0828	3.7753	2.3939	3.4660	3.0782	1.8472		4.4799
H10	1.9680	3.1992	4.2794	0.9661	2.4097	2.2698	3.5198	5.2139	4.4799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.375	C1	C2	H7	116.098
C1	O4	H10	108.388	C2	C1	O4	107.559
C2	C1	H5	109.999	C2	C1	H6	109.958
C2	C3	H8	121.491	C2	C3	H9	121.269
C3	C2	H7	120.526	O4	C1	H5	110.917
O4	C1	H6	110.035	H5	C1	H6	108.373
H8	C3	H9	117.240

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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