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	hartrees
Energy at 0K	-192.640169
Energy at 298.15K	-192.646445
HF Energy	-191.972735
Nuclear repulsion energy	116.526591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3945	3768	24.12
2	A	3257	3111	16.88
3	A	3190	3047	6.54
4	A	3165	3023	10.36
5	A	3063	2925	49.63
6	A	3019	2884	54.72
7	A	1739	1661	0.56
8	A	1544	1475	2.30
9	A	1511	1443	12.52
10	A	1453	1388	3.26
11	A	1323	1264	10.96
12	A	1312	1253	26.43
13	A	1278	1221	58.64
14	A	1186	1132	13.51
15	A	1123	1072	69.63
16	A	1028	982	19.06
17	A	982	938	5.08
18	A	941	899	34.67
19	A	931	890	3.83
20	A	658	628	4.55
21	A	450	430	3.72
22	A	340	325	11.10
23	A	265	253	119.71
24	A	115	110	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.593	0.450	0.289
C2	-0.669	-0.366	0.256
C3	-1.834	0.081	-0.218
O4	1.621	-0.298	-0.344
H5	0.425	1.412	-0.217
H6	0.857	0.659	1.338
H7	-0.582	-1.373	0.660
H8	-2.728	-0.535	-0.203
H9	-1.931	1.081	-0.636
H10	2.447	0.146	-0.158

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5030	2.5073	1.4206	1.0999	1.1015	2.2010	3.4995	2.7613	1.9310
C2	1.5030		1.3356	2.3682	2.1400	2.1321	1.0890	2.1172	2.1171	3.1844
C3	2.5073	1.3356		3.4788	2.6218	3.1616	2.1108	1.0860	1.0879	4.2824
O4	1.4206	2.3682	3.4788		2.0915	2.0809	2.6490	4.3584	3.8217	0.9562
H5	1.0999	2.1400	2.6218	2.0915		1.7812	3.0889	3.7058	2.4152	2.3868
H6	1.1015	2.1321	3.1616	2.0809	1.7812		2.5806	4.0807	3.4418	2.2425
H7	2.2010	1.0890	2.1108	2.6490	3.0889	2.5806		2.4605	3.0859	3.4860
H8	3.4995	2.1172	1.0860	4.3584	3.7058	4.0807	2.4605		1.8535	5.2204
H9	2.7613	2.1171	1.0879	3.8217	2.4152	3.4418	3.0859	1.8535		4.5021
H10	1.9310	3.1844	4.2824	0.9562	2.3868	2.2425	3.4860	5.2204	4.5021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.978	C1	C2	H7	115.310
C1	O4	H10	107.037	C2	C1	O4	108.160
C2	C1	H5	109.630	C2	C1	H6	108.922
C2	C3	H8	121.580	C2	C3	H9	121.425
C3	C2	H7	120.711	O4	C1	H5	111.520
O4	C1	H6	110.552	H5	C1	H6	108.025
H8	C3	H9	116.995

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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