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	hartrees
Energy at 0K	-192.654412
Energy at 298.15K	-192.660586
HF Energy	-191.949265
Nuclear repulsion energy	115.475956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3800	3706
2	A	3244	3164
3	A	3172	3093
4	A	3144	3066
5	A	3046	2970
6	A	2996	2922
7	A	1683	1641
8	A	1494	1457
9	A	1457	1421
10	A	1401	1366
11	A	1295	1263
12	A	1262	1231
13	A	1224	1194
14	A	1152	1123
15	A	1036	1010
16	A	992	967
17	A	955	931
18	A	929	906
19	A	912	890
20	A	643	627
21	A	434	424
22	A	329	321
23	A	252	246
24	A	109	107

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.453	0.313
C2	-0.671	-0.368	0.274
C3	-1.840	0.084	-0.235
O4	1.625	-0.302	-0.359
H5	0.426	1.427	-0.187
H6	0.885	0.642	1.365
H7	-0.602	-1.379	0.696
H8	-2.744	-0.533	-0.225
H9	-1.920	1.087	-0.671
H10	2.465	0.159	-0.223

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5061	2.5200	1.4453	1.1079	1.1087	2.2200	3.5199	2.7714	1.9701
C2	1.5061		1.3530	2.3825	2.1535	2.1518	1.0981	2.1390	2.1379	3.2180
C3	2.5200	1.3530		3.4889	2.6348	3.2090	2.1307	1.0948	1.0967	4.3054
O4	1.4453	2.3825	3.4889		2.1116	2.1008	2.6895	4.3773	3.8205	0.9673
H5	1.1079	2.1535	2.6348	2.1116		1.7990	3.1167	3.7277	2.4196	2.4013
H6	1.1087	2.1518	3.2090	2.1008	1.7990		2.5972	4.1328	3.4947	2.2921
H7	2.2200	1.0981	2.1307	2.6895	3.1167	2.5972		2.4800	3.1126	3.5520
H8	3.5199	2.1390	1.0948	4.3773	3.7277	4.1328	2.4800		1.8720	5.2545
H9	2.7714	2.1379	1.0967	3.8205	2.4196	3.4947	3.1126	1.8720		4.5042
H10	1.9701	3.2180	4.3054	0.9673	2.4013	2.2921	3.5520	5.2545	4.5042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.531	C1	C2	H7	116.074
C1	O4	H10	107.839	C2	C1	O4	107.631
C2	C1	H5	110.006	C2	C1	H6	109.817
C2	C3	H8	121.460	C2	C3	H9	121.198
C3	C2	H7	120.393	O4	C1	H5	110.903
O4	C1	H6	109.974	H5	C1	H6	108.505
H8	C3	H9	117.342

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

using model chemistry: MP4=FULL/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: MP4=FULL/aug-cc-pVDZ

States and conformations

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