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	hartrees
Energy at 0K	-192.662945
Energy at 298.15K	-192.669226
HF Energy	-191.990919
Nuclear repulsion energy	116.676492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3708	20.90
2	A	3267	3118	16.07
3	A	3201	3055	6.54
4	A	3177	3032	10.81
5	A	3073	2933	44.23
6	A	3031	2893	53.16
7	A	1734	1655	0.86
8	A	1544	1474	2.17
9	A	1512	1443	16.56
10	A	1459	1393	2.70
11	A	1335	1274	1.29
12	A	1310	1250	21.37
13	A	1269	1211	59.48
14	A	1189	1135	16.54
15	A	1092	1042	79.48
16	A	1018	971	23.34
17	A	983	938	5.17
18	A	934	891	2.16
19	A	897	856	35.64
20	A	658	628	4.58
21	A	448	428	3.13
22	A	345	329	12.11
23	A	268	256	126.57
24	A	121	115	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.589	0.444	0.307
C2	-0.671	-0.364	0.269
C3	-1.822	0.084	-0.230
O4	1.613	-0.296	-0.358
H5	0.422	1.412	-0.179
H6	0.870	0.629	1.351
H7	-0.598	-1.362	0.687
H8	-2.717	-0.523	-0.224
H9	-1.904	1.075	-0.663
H10	2.446	0.150	-0.188

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4974	2.4962	1.4271	1.0960	1.0974	2.1951	3.4858	2.7481	1.9443
C2	1.4974		1.3318	2.3689	2.1331	2.1292	1.0852	2.1108	2.1110	3.1922
C3	2.4962	1.3318		3.4578	2.6082	3.1693	2.1048	1.0822	1.0842	4.2688
O4	1.4271	2.3689	3.4578		2.0899	2.0804	2.6679	4.3380	3.7862	0.9606
H5	1.0960	2.1331	2.6082	2.0899		1.7763	3.0807	3.6887	2.3996	2.3853
H6	1.0974	2.1292	3.1693	2.0804	1.7763		2.5620	4.0841	3.4569	2.2548
H7	2.1951	1.0852	2.1048	2.6679	3.0807	2.5620		2.4543	3.0767	3.5107
H8	3.4858	2.1108	1.0822	4.3380	3.6887	4.0841	2.4543		1.8464	5.2074
H9	2.7481	2.1110	1.0842	3.7862	2.3996	3.4569	3.0767	1.8464		4.4722
H10	1.9443	3.1922	4.2688	0.9606	2.3853	2.2548	3.5107	5.2074	4.4722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.735	C1	C2	H7	115.490
C1	O4	H10	107.419	C2	C1	O4	108.167
C2	C1	H5	109.705	C2	C1	H6	109.316
C2	C3	H8	121.609	C2	C3	H9	121.464
C3	C2	H7	120.773	O4	C1	H5	111.169
O4	C1	H6	110.305	H5	C1	H6	108.163
H8	C3	H9	116.927

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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