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	hartrees
Energy at 0K	-192.608158
Energy at 298.15K	-192.614492
HF Energy	-191.936273
Nuclear repulsion energy	115.824798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3814	3658
2	A	3248	3115
3	A	3169	3039
4	A	3148	3019
5	A	3095	2968
6	A	3007	2884
7	A	1696	1626
8	A	1497	1435
9	A	1455	1395
10	A	1426	1367
11	A	1358	1303
12	A	1292	1239
13	A	1229	1178
14	A	1149	1102
15	A	1088	1043
16	A	1005	964
17	A	945	906
18	A	922	884
19	A	919	882
20	A	649	623
21	A	450	432
22	A	359	344
23	A	331	317
24	A	113	109

Atom	x (Å)	y (Å)	z (Å)
C1	0.613	0.493	0.275
C2	-0.659	-0.321	0.340
C3	-1.820	0.045	-0.248
O4	1.704	-0.262	-0.245
H5	0.431	1.422	-0.309
H6	0.923	0.796	1.292
H7	-0.593	-1.271	0.891
H8	-2.722	-0.575	-0.179
H9	-1.900	0.987	-0.809
H10	1.419	-0.565	-1.119

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5113	2.5282	1.4258	1.1117	1.1055	2.2238	3.5310	2.7809	1.9270
C2	1.5113		1.3520	2.4353	2.1553	2.1580	1.1005	2.1426	2.1381	2.5506
C3	2.5282	1.3520		3.5377	2.6390	3.2340	2.1301	1.0969	1.0990	3.4091
O4	1.4258	2.4353	3.5377		2.1121	2.0233	2.7542	4.4381	3.8562	0.9680
H5	1.1117	2.1553	2.6390	2.1121		1.7873	3.1207	3.7342	2.4235	2.3622
H6	1.1055	2.1580	3.2340	2.0233	1.7873		2.5947	4.1629	3.5243	2.8129
H7	2.2238	1.1005	2.1301	2.7542	3.1207	2.5947		2.4830	3.1144	2.9302
H8	3.5310	2.1426	1.0969	4.4381	3.7342	4.1629	2.4830		1.8738	4.2465
H9	2.7809	2.1381	1.0990	3.8562	2.4235	3.5243	3.1144	1.8738		3.6769
H10	1.9270	2.5506	3.4091	0.9680	2.3622	2.8129	2.9302	4.2465	3.6769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.911	C1	C2	H7	115.845
C1	O4	H10	105.626	C2	C1	O4	111.995
C2	C1	H5	109.567	C2	C1	H6	110.148
C2	C3	H8	121.726	C2	C3	H9	121.122
C3	C2	H7	120.234	O4	C1	H5	112.094
O4	C1	H6	105.433	H5	C1	H6	107.429
H8	C3	H9	117.150

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

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

States and conformations

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