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	hartrees
Energy at 0K	-192.542972
Energy at 298.15K	-192.549221
HF Energy	-191.934847
Nuclear repulsion energy	116.170482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3856	3664	27.62
2	A	3303	3139	10.83
3	A	3219	3059	5.54
4	A	3195	3036	7.24
5	A	3078	2926	55.59
6	A	3027	2877	57.95
7	A	1719	1634	0.46
8	A	1516	1440	1.07
9	A	1485	1411	14.75
10	A	1428	1357	4.18
11	A	1303	1239	2.35
12	A	1285	1221	27.68
13	A	1251	1189	50.67
14	A	1170	1112	17.02
15	A	1104	1050	75.08
16	A	1026	975	19.92
17	A	976	927	3.94
18	A	941	894	29.49
19	A	929	883	2.57
20	A	656	623	4.54
21	A	446	424	3.88
22	A	331	314	9.56
23	A	268	255	114.62
24	A	114	109	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.594	0.450	0.293
C2	-0.664	-0.366	0.259
C3	-1.838	0.082	-0.221
O4	1.621	-0.304	-0.343
H5	0.418	1.421	-0.211
H6	0.856	0.666	1.349
H7	-0.584	-1.382	0.665
H8	-2.736	-0.541	-0.204
H9	-1.930	1.089	-0.642
H10	2.445	0.179	-0.197

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4999	2.5129	1.4236	1.1079	1.1091	2.2095	3.5096	2.7664	1.9338
C2	1.4999		1.3455	2.3637	2.1411	2.1359	1.0966	2.1302	2.1289	3.1891
C3	2.5129	1.3455		3.4829	2.6230	3.1720	2.1216	1.0931	1.0948	4.2843
O4	1.4236	2.3637	3.4829		2.1075	2.0942	2.6534	4.3657	3.8263	0.9659
H5	1.1079	2.1411	2.6230	2.1075		1.7872	3.1025	3.7140	2.4099	2.3778
H6	1.1091	2.1359	3.1720	2.0942	1.7872		2.5947	4.0947	3.4500	2.2697
H7	2.2095	1.0966	2.1216	2.6534	3.1025	2.5947		2.4682	3.1022	3.5149
H8	3.5096	2.1302	1.0931	4.3657	3.7140	4.0947	2.4682		1.8703	5.2307
H9	2.7664	2.1289	1.0948	3.8263	2.4099	3.4500	3.1022	1.8703		4.4908
H10	1.9338	3.1891	4.2843	0.9659	2.3778	2.2697	3.5149	5.2307	4.4908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.951	C1	C2	H7	115.755
C1	O4	H10	106.468	C2	C1	O4	107.869
C2	C1	H5	109.458	C2	C1	H6	108.982
C2	C3	H8	121.396	C2	C3	H9	121.126
C3	C2	H7	120.292	O4	C1	H5	112.111
O4	C1	H6	110.945	H5	C1	H6	107.436
H8	C3	H9	117.477

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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