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	hartrees
Energy at 0K	-192.770247
Energy at 298.15K	-192.776498
HF Energy	-191.996171
Nuclear repulsion energy	116.795688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3722	28.60
2	A	3251	3106	13.42
3	A	3187	3045	5.07
4	A	3161	3021	9.10
5	A	3057	2921	39.78
6	A	3016	2882	49.98
7	A	1732	1655	1.50
8	A	1537	1469	1.23
9	A	1499	1432	14.89
10	A	1446	1382	4.53
11	A	1325	1266	0.59
12	A	1299	1241	21.30
13	A	1260	1204	57.20
14	A	1180	1128	15.24
15	A	1101	1052	82.24
16	A	1034	988	16.25
17	A	983	940	7.00
18	A	963	920	37.61
19	A	931	890	1.42
20	A	661	632	5.22
21	A	449	429	3.50
22	A	336	321	9.49
23	A	247	236	112.21
24	A	113	108	1.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.450	0.289
C2	-0.668	-0.365	0.254
C3	-1.829	0.081	-0.218
O4	1.621	-0.299	-0.337
H5	0.420	1.404	-0.220
H6	0.850	0.664	1.331
H7	-0.587	-1.369	0.655
H8	-2.719	-0.533	-0.202
H9	-1.922	1.076	-0.635
H10	2.449	0.157	-0.184

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4968	2.4969	1.4221	1.0944	1.0958	2.1955	3.4844	2.7464	1.9431
C2	1.4968		1.3314	2.3645	2.1303	2.1267	1.0838	2.1086	2.1076	3.1901
C3	2.4969	1.3314		3.4732	2.6098	3.1499	2.1000	1.0810	1.0829	4.2792
O4	1.4221	2.3645	3.4732		2.0876	2.0753	2.6460	4.3486	3.8121	0.9576
H5	1.0944	2.1303	2.6098	2.0876		1.7716	3.0771	3.6887	2.4009	2.3822
H6	1.0958	2.1267	3.1499	2.0753	1.7716		2.5797	4.0650	3.4234	2.2606
H7	2.1955	1.0838	2.1000	2.6460	3.0771	2.5797		2.4461	3.0702	3.4993
H8	3.4844	2.1086	1.0810	4.3486	3.6887	4.0650	2.4461		1.8469	5.2141
H9	2.7464	2.1076	1.0829	3.8121	2.4009	3.4234	3.0702	1.8469		4.4893
H10	1.9431	3.1901	4.2792	0.9576	2.3822	2.2606	3.4993	5.2141	4.4893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.877	C1	C2	H7	115.664
C1	O4	H10	107.882	C2	C1	O4	108.179
C2	C1	H5	109.623	C2	C1	H6	109.255
C2	C3	H8	121.529	C2	C3	H9	121.272
C3	C2	H7	120.456	O4	C1	H5	111.444
O4	C1	H6	110.348	H5	C1	H6	107.972
H8	C3	H9	117.198

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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