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	hartrees
Energy at 0K	-192.474746
Energy at 298.15K	-192.481017
HF Energy	-191.913352
Nuclear repulsion energy	116.436407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3557	20.68
2	A	3307	3119	13.02
3	A	3232	3048	5.07
4	A	3212	3029	7.63
5	A	3094	2918	52.52
6	A	3046	2873	51.48
7	A	1740	1640	0.30
8	A	1580	1490	1.34
9	A	1517	1431	13.88
10	A	1463	1380	5.70
11	A	1341	1265	0.55
12	A	1303	1229	29.97
13	A	1268	1196	49.60
14	A	1193	1125	20.25
15	A	1095	1032	75.14
16	A	1037	978	22.09
17	A	1001	944	6.94
18	A	948	894	6.07
19	A	943	890	32.83
20	A	662	624	4.11
21	A	454	428	4.16
22	A	339	319	11.29
23	A	280	264	138.01
24	A	114	108	1.31

Atom	x (Å)	y (Å)	z (Å)
O1	1.621	-0.310	-0.330
H2	2.457	0.166	-0.191
C3	0.585	0.462	0.281
H4	0.844	0.707	1.323
H5	0.418	1.409	-0.253
C6	-0.660	-0.362	0.255
H7	-0.565	-1.365	0.667
C8	-1.834	0.074	-0.215
H9	-1.944	1.066	-0.644
H10	-2.724	-0.545	-0.190

	O1	H2	C3	H4	H5	C6	H7	C8	H9	H10
O1		0.9714	1.4285	2.0906	2.1000	2.3558	2.6239	3.4781	3.8343	4.3538
H2	0.9714		1.9523	2.2779	2.3889	3.1928	3.4942	4.2915	4.5144	5.2293
C3	1.4285	1.9523		1.1015	1.1003	1.4939	2.1932	2.5000	2.7600	3.4913
H4	2.0906	2.2779	1.1015		1.7768	2.1321	2.5901	3.1522	3.4302	4.0726
H5	2.1000	2.3889	1.1003	1.7768		2.1352	3.0838	2.6184	2.4184	3.7010
C6	2.3558	3.1928	1.4939	2.1321	2.1352		1.0885	1.3372	2.1202	2.1190
H7	2.6239	3.4942	2.1932	2.5901	3.0838	1.0885		2.1117	3.0873	2.4634
C8	3.4781	4.2915	2.5000	3.1522	2.6184	1.3372	2.1117		1.0866	1.0846
H9	3.8343	4.5144	2.7600	3.4302	2.4184	2.1202	3.0873	1.0866		1.8472
H10	4.3538	5.2293	3.4913	4.0726	3.7010	2.1190	2.4634	1.0846	1.8472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	44.298	C1	C2	H7	22.574
C1	O4	H10	83.252	C2	C1	O4	88.229
C2	C1	H5	94.969	C2	C1	H6	143.952
C2	C3	H8	148.870	C2	C3	H9	146.160
C3	C2	H7	34.744	O4	C1	H5	50.174
O4	C1	H6	56.931	H5	C1	H6	56.916
H8	C3	H9	23.171

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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