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	hartrees
Energy at 0K	-192.503337
Energy at 298.15K	-192.509697
HF Energy	-191.958238
Nuclear repulsion energy	117.129686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4006	3707	19.16
2	A	3323	3074	19.29
3	A	3259	3016	6.99
4	A	3233	2991	12.31
5	A	3132	2898	53.68
6	A	3089	2859	61.56
7	A	1801	1666	1.39
8	A	1596	1476	1.47
9	A	1553	1437	15.74
10	A	1495	1383	4.76
11	A	1367	1265	3.25
12	A	1345	1244	31.50
13	A	1310	1212	88.37
14	A	1218	1127	20.20
15	A	1151	1065	69.46
16	A	1070	990	17.77
17	A	1015	939	8.56
18	A	989	915	48.81
19	A	959	888	3.84
20	A	679	629	5.45
21	A	466	431	4.35
22	A	348	322	13.54
23	A	275	254	152.43
24	A	118	109	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.455	0.275
C2	-0.665	-0.361	0.245
C3	-1.831	0.076	-0.208
O4	1.620	-0.301	-0.324
H5	0.431	1.401	-0.250
H6	0.842	0.686	1.315
H7	-0.570	-1.366	0.639
H8	-2.715	-0.544	-0.186
H9	-1.946	1.070	-0.620
H10	2.449	0.138	-0.174

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4957	2.4962	1.4123	1.0932	1.0952	2.1884	3.4820	2.7572	1.9402
C2	1.4957		1.3255	2.3551	2.1331	2.1239	1.0834	2.1032	2.1066	3.1813
C3	2.4962	1.3255		3.4733	2.6219	3.1364	2.0946	1.0801	1.0820	4.2807
O4	1.4123	2.3551	3.4733		2.0770	2.0659	2.6184	4.3438	3.8317	0.9502
H5	1.0932	2.1331	2.6219	2.0770		1.7691	3.0735	3.6995	2.4283	2.3816
H6	1.0952	2.1239	3.1364	2.0659	1.7691		2.5807	4.0521	3.4150	2.2589
H7	2.1884	1.0834	2.0946	2.6184	3.0735	2.5807		2.4409	3.0679	3.4693
H8	3.4820	2.1032	1.0801	4.3438	3.6995	4.0521	2.4409		1.8400	5.2090
H9	2.7572	2.1066	1.0820	3.8317	2.4283	3.4150	3.0679	1.8400		4.5149
H10	1.9402	3.1813	4.2807	0.9502	2.3816	2.2589	3.4693	5.2090	4.5149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.348	C1	C2	H7	115.170
C1	O4	H10	108.851	C2	C1	O4	108.136
C2	C1	H5	109.989	C2	C1	H6	109.148
C2	C3	H8	121.591	C2	C3	H9	121.766
C3	C2	H7	120.479	O4	C1	H5	111.351
O4	C1	H6	110.313	H5	C1	H6	107.887
H8	C3	H9	116.643

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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