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	hartrees
Energy at 0K	-191.217658
Energy at 298.15K	-191.223943
HF Energy	-190.848223
Nuclear repulsion energy	115.531099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3641	3388	0.48
2	A	3289	3060	17.50
3	A	3244	3018	2.20
4	A	3207	2984	8.79
5	A	3099	2883	52.39
6	A	3066	2853	42.23
7	A	1773	1650	1.13
8	A	1633	1519	1.29
9	A	1560	1452	7.35
10	A	1509	1404	5.09
11	A	1387	1291	0.08
12	A	1324	1232	36.86
13	A	1298	1208	39.97
14	A	1199	1115	12.49
15	A	1079	1004	23.30
16	A	1070	996	18.06
17	A	1035	963	41.33
18	A	1013	943	47.07
19	A	934	869	7.33
20	A	657	611	4.70
21	A	474	441	4.61
22	A	323	301	12.80
23	A	280	261	159.23
24	A	98	91	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.506	0.223
C2	-0.666	-0.360	0.215
C3	-1.866	0.050	-0.180
O4	1.668	-0.336	-0.257
H5	0.418	1.385	-0.414
H6	0.768	0.857	1.245
H7	-0.505	-1.365	0.586
H8	-2.733	-0.597	-0.142
H9	-2.035	1.050	-0.565
H10	2.503	0.179	-0.207

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5111	2.5137	1.4629	1.0963	1.0976	2.1902	3.5042	2.7777	2.0046
C2	1.5111		1.3289	2.3807	2.1483	2.1439	1.0837	2.1116	2.1146	3.2417
C3	2.5137	1.3289		3.5559	2.6564	3.1018	2.1078	1.0825	1.0848	4.3712
O4	1.4629	2.3807	3.5559		2.1328	2.1189	2.5479	4.4101	3.9656	0.9828
H5	1.0963	2.1483	2.6564	2.1328		1.7752	3.0689	3.7330	2.4806	2.4172
H6	1.0976	2.1439	3.1018	2.1189	1.7752		2.6449	4.0371	3.3419	2.3615
H7	2.1902	1.0837	2.1078	2.5479	3.0689	2.6449		2.4667	3.0821	3.4733
H8	3.5042	2.1116	1.0825	4.4101	3.7330	4.0371	2.4667		1.8384	5.2937
H9	2.7777	2.1146	1.0848	3.9656	2.4806	3.3419	3.0821	1.8384		4.6345
H10	2.0046	3.2417	4.3712	0.9828	2.4172	2.3615	3.4733	5.2937	4.6345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.413	C1	C2	H7	114.131
C1	O4	H10	108.497	C2	C1	O4	106.348
C2	C1	H5	109.947	C2	C1	H6	109.519
C2	C3	H8	121.930	C2	C3	H9	122.023
C3	C2	H7	121.443	O4	C1	H5	112.105
O4	C1	H6	110.880	H5	C1	H6	108.027
H8	C3	H9	116.046

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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