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	hartrees
Energy at 0K	-192.515537
Energy at 298.15K	-192.521786
HF Energy	-191.913219
Nuclear repulsion energy	116.204982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3587	13.83
2	A	3257	3102	18.44
3	A	3193	3041	5.86
4	A	3172	3021	11.74
5	A	3049	2903	55.15
6	A	3009	2865	55.58
7	A	1749	1665	0.54
8	A	1571	1496	1.42
9	A	1514	1442	13.37
10	A	1461	1391	5.52
11	A	1337	1273	1.00
12	A	1302	1240	46.78
13	A	1270	1210	43.51
14	A	1189	1132	19.66
15	A	1102	1050	70.51
16	A	1026	977	16.11
17	A	998	950	7.28
18	A	942	897	25.99
19	A	940	895	12.42
20	A	654	623	4.06
21	A	454	432	4.28
22	A	337	321	10.66
23	A	275	262	136.66
24	A	111	106	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.462	0.278
C2	-0.665	-0.364	0.251
C3	-1.841	0.075	-0.212
O4	1.629	-0.311	-0.323
H5	0.426	1.410	-0.261
H6	0.846	0.711	1.322
H7	-0.567	-1.372	0.654
H8	-2.733	-0.547	-0.191
H9	-1.956	1.074	-0.632
H10	2.461	0.175	-0.208

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5004	2.5076	1.4303	1.1023	1.1039	2.1996	3.5020	2.7694	1.9573
C2	1.5004		1.3379	2.3652	2.1442	2.1414	1.0908	2.1227	2.1240	3.2054
C3	2.5076	1.3379		3.4931	2.6313	3.1590	2.1141	1.0877	1.0895	4.3036
O4	1.4303	2.3652	3.4931		2.1013	2.0898	2.6269	4.3702	3.8554	0.9712
H5	1.1023	2.1442	2.6313	2.1013		1.7808	3.0925	3.7168	2.4336	2.3815
H6	1.1039	2.1414	3.1590	2.0898	1.7808		2.6042	4.0843	3.4350	2.2889
H7	2.1996	1.0908	2.1141	2.6269	3.0925	2.6042		2.4674	3.0931	3.5080
H8	3.5020	2.1227	1.0877	4.3702	3.7168	4.0843	2.4674		1.8512	5.2443
H9	2.7694	2.1240	1.0895	3.8554	2.4336	3.4350	3.0931	1.8512		4.5275
H10	1.9573	3.2054	4.3036	0.9712	2.3815	2.2889	3.5080	5.2443	4.5275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.033	C1	C2	H7	115.274
C1	O4	H10	107.647	C2	C1	O4	107.596
C2	C1	H5	110.000	C2	C1	H6	109.684
C2	C3	H8	121.772	C2	C3	H9	121.758
C3	C2	H7	120.689	O4	C1	H5	111.483
O4	C1	H6	110.445	H5	C1	H6	107.635
H8	C3	H9	116.469

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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