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	hartrees
Energy at 0K	-191.240853
Energy at 298.15K	-191.247081
HF Energy	-190.846412
Nuclear repulsion energy	114.970703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3509	3326	1.20
2	A	3262	3092	15.90
3	A	3208	3041	2.99
4	A	3173	3008	8.10
5	A	3062	2903	57.32
6	A	3028	2870	40.87
7	A	1698	1610	0.77
8	A	1617	1533	1.62
9	A	1537	1457	6.16
10	A	1480	1403	5.84
11	A	1363	1292	0.12
12	A	1301	1233	32.96
13	A	1272	1206	32.25
14	A	1179	1118	11.52
15	A	1052	997	17.42
16	A	1042	988	11.45
17	A	999	948	52.50
18	A	968	918	41.99
19	A	920	872	7.70
20	A	644	611	3.99
21	A	463	439	4.44
22	A	315	298	12.44
23	A	283	268	149.53
24	A	98	93	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.510	0.232
C2	-0.664	-0.359	0.228
C3	-1.871	0.049	-0.189
O4	1.671	-0.342	-0.267
H5	0.408	1.394	-0.401
H6	0.778	0.860	1.256
H7	-0.511	-1.361	0.619
H8	-2.741	-0.599	-0.149
H9	-2.031	1.046	-0.593
H10	2.505	0.194	-0.217

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5124	2.5231	1.4766	1.1001	1.1008	2.1973	3.5154	2.7843	2.0082
C2	1.5124		1.3404	2.3873	2.1495	2.1498	1.0868	2.1237	2.1250	3.2479
C3	2.5231	1.3404		3.5646	2.6556	3.1243	2.1191	1.0851	1.0875	4.3787
O4	1.4766	2.3873	3.5646		2.1511	2.1358	2.5665	4.4206	3.9673	0.9927
H5	1.1001	2.1495	2.6556	2.1511		1.7798	3.0790	3.7355	2.4720	2.4228
H6	1.1008	2.1498	3.1243	2.1358	1.7798		2.6457	4.0595	3.3679	2.3656
H7	2.1973	1.0868	2.1191	2.5665	3.0790	2.6457		2.4778	3.0940	3.4952
H8	3.5154	2.1237	1.0851	4.4206	3.7355	4.0595	2.4778		1.8457	5.3056
H9	2.7843	2.1250	1.0875	3.9673	2.4720	3.3679	3.0940	1.8457		4.6309
H10	2.0082	3.2479	4.3787	0.9927	2.4228	2.3656	3.4952	5.3056	4.6309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.261	C1	C2	H7	114.436
C1	O4	H10	107.203	C2	C1	O4	106.005
C2	C1	H5	109.722	C2	C1	H6	109.705
C2	C3	H8	121.875	C2	C3	H9	121.802
C3	C2	H7	121.288	O4	C1	H5	112.369
O4	C1	H6	111.088	H5	C1	H6	107.935
H8	C3	H9	116.322

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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