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	hartrees
Energy at 0K	-192.644571
Energy at 298.15K	-192.650743
HF Energy	-191.949055
Nuclear repulsion energy	115.325124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3806	3722
2	A	3229	3158
3	A	3161	3090
4	A	3132	3062
5	A	3033	2966
6	A	2986	2920
7	A	1682	1645
8	A	1492	1459
9	A	1457	1425
10	A	1403	1372
11	A	1294	1265
12	A	1263	1235
13	A	1228	1200
14	A	1150	1124
15	A	1042	1019
16	A	985	963
17	A	955	934
18	A	924	904
19	A	911	891
20	A	637	623
21	A	436	426
22	A	328	321
23	A	255	249
24	A	109	106

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.454	0.307
C2	-0.671	-0.371	0.266
C3	-1.846	0.085	-0.229
O4	1.633	-0.303	-0.351
H5	0.427	1.426	-0.200
H6	0.876	0.651	1.362
H7	-0.597	-1.387	0.678
H8	-2.750	-0.535	-0.218
H9	-1.932	1.093	-0.656
H10	2.467	0.169	-0.224

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5092	2.5241	1.4447	1.1089	1.1101	2.2229	3.5250	2.7762	1.9694
C2	1.5092		1.3543	2.3857	2.1565	2.1543	1.0993	2.1409	2.1405	3.2219
C3	2.5241	1.3543		3.5025	2.6394	3.2040	2.1333	1.0961	1.0980	4.3143
O4	1.4447	2.3857	3.5025		2.1127	2.1014	2.6845	4.3907	3.8399	0.9671
H5	1.1089	2.1565	2.6394	2.1127		1.8007	3.1197	3.7335	2.4252	2.3960
H6	1.1101	2.1543	3.2040	2.1014	1.8007		2.6066	4.1299	3.4860	2.2980
H7	2.2229	1.0993	2.1333	2.6845	3.1197	2.6066		2.4828	3.1165	3.5536
H8	3.5250	2.1409	1.0961	4.3907	3.7335	4.1299	2.4828		1.8742	5.2645
H9	2.7762	2.1405	1.0980	3.8399	2.4252	3.4860	3.1165	1.8742		4.5153
H10	1.9694	3.2219	4.3143	0.9671	2.3960	2.2980	3.5536	5.2645	4.5153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.551	C1	C2	H7	116.010
C1	O4	H10	107.839	C2	C1	O4	107.710
C2	C1	H5	109.967	C2	C1	H6	109.724
C2	C3	H8	121.431	C2	C3	H9	121.228
C3	C2	H7	120.436	O4	C1	H5	110.964
O4	C1	H6	109.991	H5	C1	H6	108.480
H8	C3	H9	117.341

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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