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	hartrees
Energy at 0K	-192.765182
Energy at 298.15K	-192.771450
HF Energy	-191.996532
Nuclear repulsion energy	116.968164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3945	3727	34.81
2	A	3277	3096	12.16
3	A	3213	3035	4.94
4	A	3186	3010	7.73
5	A	3084	2913	38.78
6	A	3042	2874	47.66
7	A	1748	1651	1.38
8	A	1541	1456	1.57
9	A	1505	1422	14.48
10	A	1452	1372	4.86
11	A	1330	1256	0.90
12	A	1306	1234	20.27
13	A	1267	1197	61.12
14	A	1184	1118	16.17
15	A	1118	1057	79.74
16	A	1041	984	16.26
17	A	987	933	7.87
18	A	970	916	38.01
19	A	935	883	1.48
20	A	666	629	5.33
21	A	451	426	3.49
22	A	337	318	9.73
23	A	249	235	114.39
24	A	114	107	1.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.446	0.290
C2	-0.668	-0.368	0.252
C3	-1.827	0.083	-0.218
O4	1.620	-0.296	-0.337
H5	0.417	1.401	-0.213
H6	0.847	0.656	1.332
H7	-0.590	-1.372	0.646
H8	-2.717	-0.527	-0.204
H9	-1.916	1.080	-0.628
H10	2.446	0.159	-0.183

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4965	2.4932	1.4185	1.0927	1.0941	2.1948	3.4796	2.7400	1.9395
C2	1.4965		1.3288	2.3642	2.1268	2.1237	1.0821	2.1049	2.1035	3.1880
C3	2.4932	1.3288		3.4699	2.6026	3.1430	2.0965	1.0794	1.0814	4.2732
O4	1.4185	2.3642	3.4699		2.0839	2.0714	2.6473	4.3455	3.8053	0.9548
H5	1.0927	2.1268	2.6026	2.0839		1.7684	3.0730	3.6801	2.3915	2.3786
H6	1.0941	2.1237	3.1430	2.0714	1.7684		2.5780	4.0571	3.4137	2.2585
H7	2.1948	1.0821	2.0965	2.6473	3.0730	2.5780		2.4421	3.0650	3.4992
H8	3.4796	2.1049	1.0794	4.3455	3.6801	4.0571	2.4421		1.8449	5.2081
H9	2.7400	2.1035	1.0814	3.8053	2.3915	3.4137	3.0650	1.8449		4.4796
H10	1.9395	3.1880	4.2732	0.9548	2.3786	2.2585	3.4992	5.2081	4.4796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.775	C1	C2	H7	115.743
C1	O4	H10	108.022	C2	C1	O4	108.371
C2	C1	H5	109.469	C2	C1	H6	109.143
C2	C3	H8	121.523	C2	C3	H9	121.220
C3	C2	H7	120.479	O4	C1	H5	111.506
O4	C1	H6	110.387	H5	C1	H6	107.938
H8	C3	H9	117.257

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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