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	hartrees
Energy at 0K	-192.577354
Energy at 298.15K	-192.583588
HF Energy	-191.934609
Nuclear repulsion energy	115.873907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3861	3704	21.76
2	A	3260	3128	15.37
3	A	3189	3059	6.30
4	A	3164	3035	10.13
5	A	3042	2918	59.13
6	A	3000	2878	61.15
7	A	1732	1662	0.75
8	A	1517	1456	1.17
9	A	1491	1431	14.64
10	A	1433	1375	4.80
11	A	1306	1253	3.37
12	A	1288	1236	44.85
13	A	1255	1204	45.83
14	A	1170	1122	16.45
15	A	1110	1065	68.77
16	A	1017	976	16.30
17	A	975	935	4.15
18	A	939	901	29.14
19	A	926	888	1.97
20	A	648	622	4.42
21	A	446	428	3.87
22	A	330	317	9.03
23	A	264	254	113.82
24	A	111	107	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.597	0.454	0.283
C2	-0.667	-0.368	0.250
C3	-1.848	0.081	-0.213
O4	1.632	-0.305	-0.333
H5	0.426	1.421	-0.236
H6	0.851	0.684	1.341
H7	-0.576	-1.389	0.647
H8	-2.747	-0.547	-0.193
H9	-1.954	1.093	-0.626
H10	2.455	0.176	-0.187

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5078	2.5230	1.4237	1.1106	1.1120	2.2145	3.5228	2.7826	1.9370
C2	1.5078		1.3463	2.3719	2.1517	2.1449	1.0992	2.1345	2.1351	3.1990
C3	2.5230	1.3463		3.5037	2.6400	3.1728	2.1260	1.0962	1.0980	4.3050
O4	1.4237	2.3719	3.5037		2.1079	2.0952	2.6473	4.3877	3.8602	0.9651
H5	1.1106	2.1517	2.6400	2.1079		1.7919	3.1110	3.7338	2.4342	2.3811
H6	1.1120	2.1449	3.1728	2.0952	1.7919		2.6103	4.1005	3.4504	2.2731
H7	2.2145	1.0992	2.1260	2.6473	3.1110	2.6103		2.4757	3.1111	3.5120
H8	3.5228	2.1345	1.0962	4.3877	3.7338	4.1005	2.4757		1.8719	5.2524
H9	2.7826	2.1351	1.0980	3.8602	2.4342	3.4504	3.1111	1.8719		4.5252
H10	1.9370	3.1990	4.3050	0.9651	2.3811	2.2731	3.5120	5.2524	4.5252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.158	C1	C2	H7	115.413
C1	O4	H10	106.787	C2	C1	O4	107.984
C2	C1	H5	109.593	C2	C1	H6	108.981
C2	C3	H8	121.494	C2	C3	H9	121.404
C3	C2	H7	120.425	O4	C1	H5	111.962
O4	C1	H6	110.833	H5	C1	H6	107.453
H8	C3	H9	117.102

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

using model chemistry: QCISD/cc-pVDZ

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-pVDZ

States and conformations

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