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	hartrees
Energy at 0K	-192.597077
Energy at 298.15K	-192.603415
HF Energy	-191.936054
Nuclear repulsion energy	115.779991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3815	3688
2	A	3252	3145
3	A	3171	3066
4	A	3150	3046
5	A	3098	2995
6	A	3005	2906
7	A	1691	1635
8	A	1496	1446
9	A	1453	1405
10	A	1423	1375
11	A	1356	1311
12	A	1292	1249
13	A	1227	1186
14	A	1149	1111
15	A	1083	1047
16	A	1010	976
17	A	945	914
18	A	923	892
19	A	919	889
20	A	651	630
21	A	450	435
22	A	360	348
23	A	330	319
24	A	115	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.613	0.494	0.275
C2	-0.659	-0.319	0.344
C3	-1.819	0.044	-0.250
O4	1.704	-0.264	-0.247
H5	0.430	1.422	-0.311
H6	0.927	0.800	1.291
H7	-0.595	-1.266	0.901
H8	-2.722	-0.575	-0.180
H9	-1.897	0.983	-0.817
H10	1.412	-0.570	-1.118

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5114	2.5285	1.4273	1.1127	1.1062	2.2250	3.5318	2.7805	1.9264
C2	1.5114		1.3525	2.4365	2.1557	2.1596	1.1012	2.1436	2.1386	2.5471
C3	2.5285	1.3525		3.5365	2.6387	3.2381	2.1308	1.0974	1.0996	3.4013
O4	1.4273	2.4365	3.5365		2.1144	2.0245	2.7580	4.4374	3.8531	0.9686
H5	1.1127	2.1557	2.6387	2.1144		1.7888	3.1222	3.7343	2.4217	2.3634
H6	1.1062	2.1596	3.2381	2.0245	1.7888		2.5955	4.1676	3.5287	2.8130
H7	2.2250	1.1012	2.1308	2.7580	3.1222	2.5955		2.4838	3.1154	2.9301
H8	3.5318	2.1436	1.0974	4.4374	3.7343	4.1676	2.4838		1.8750	4.2387
H9	2.7805	2.1386	1.0996	3.8531	2.4217	3.5287	3.1154	1.8750		3.6673
H10	1.9264	2.5471	3.4013	0.9686	2.3634	2.8130	2.9301	4.2387	3.6673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.892	C1	C2	H7	115.892
C1	O4	H10	105.430	C2	C1	O4	111.980
C2	C1	H5	109.528	C2	C1	H6	110.225
C2	C3	H8	121.737	C2	C3	H9	121.074
C3	C2	H7	120.204	O4	C1	H5	112.105
O4	C1	H6	105.386	H5	C1	H6	107.446
H8	C3	H9	117.187

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

using model chemistry: MP4/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/cc-pVDZ

States and conformations

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