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	hartrees
Energy at 0K	-192.549095
Energy at 298.15K	-192.555313
HF Energy	-191.912710
Nuclear repulsion energy	116.084467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3732	3732
2	A	3242	3242
3	A	3175	3175
4	A	3155	3155
5	A	3027	3027
6	A	2987	2987
7	A	1722	1722
8	A	1562	1562
9	A	1504	1504
10	A	1451	1451
11	A	1326	1326
12	A	1293	1293
13	A	1261	1261
14	A	1180	1180
15	A	1089	1089
16	A	1011	1011
17	A	990	990
18	A	933	933
19	A	921	921
20	A	645	645
21	A	451	451
22	A	332	332
23	A	274	274
24	A	109	109

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.463	0.278
C2	-0.663	-0.366	0.249
C3	-1.844	0.075	-0.211
O4	1.631	-0.311	-0.322
H5	0.423	1.410	-0.265
H6	0.843	0.715	1.323
H7	-0.563	-1.377	0.650
H8	-2.737	-0.547	-0.190
H9	-1.958	1.077	-0.627
H10	2.463	0.181	-0.207

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5001	2.5092	1.4318	1.1039	1.1054	2.2013	3.5049	2.7700	1.9578
C2	1.5001		1.3414	2.3652	2.1444	2.1425	1.0921	2.1271	2.1275	3.2060
C3	2.5092	1.3414		3.4983	2.6310	3.1591	2.1186	1.0888	1.0907	4.3077
O4	1.4318	2.3652	3.4983		2.1045	2.0930	2.6261	4.3765	3.8609	0.9731
H5	1.1039	2.1444	2.6310	2.1045		1.7832	3.0947	3.7176	2.4315	2.3823
H6	1.1054	2.1425	3.1591	2.0930	1.7832		2.6088	4.0860	3.4322	2.2910
H7	2.2013	1.0921	2.1186	2.6261	3.0947	2.6088		2.4731	3.0979	3.5098
H8	3.5049	2.1271	1.0888	4.3765	3.7176	4.0860	2.4731		1.8534	5.2503
H9	2.7700	2.1275	1.0907	3.8609	2.4315	3.4322	3.0979	1.8534		4.5303
H10	1.9578	3.2060	4.3077	0.9731	2.3823	2.2910	3.5098	5.2503	4.5303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.928	C1	C2	H7	115.350
C1	O4	H10	107.454	C2	C1	O4	107.531
C2	C1	H5	109.939	C2	C1	H6	109.705
C2	C3	H8	121.804	C2	C3	H9	121.685
C3	C2	H7	120.715	O4	C1	H5	111.534
O4	C1	H6	110.501	H5	C1	H6	107.634
H8	C3	H9	116.510

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

using model chemistry: QCISD(T)=FULL/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(T)=FULL/6-31G*

States and conformations

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