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	hartrees
Energy at 0K	-191.268726
Energy at 298.15K	-191.274923
HF Energy	-190.846148
Nuclear repulsion energy	114.793470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3502	3350	2.06
2	A	3208	3068	18.59
3	A	3162	3024	2.89
4	A	3127	2991	9.55
5	A	3017	2886	53.24
6	A	2986	2856	40.19
7	A	1708	1634	0.53
8	A	1599	1529	1.50
9	A	1523	1457	5.66
10	A	1476	1412	3.58
11	A	1351	1292	0.10
12	A	1297	1240	48.14
13	A	1268	1212	21.04
14	A	1170	1119	10.06
15	A	1039	994	24.65
16	A	1028	983	7.43
17	A	1004	960	35.93
18	A	961	919	43.08
19	A	909	869	6.66
20	A	631	603	3.95
21	A	461	441	4.24
22	A	314	300	12.11
23	A	281	268	149.51
24	A	94	90	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.511	0.225
C2	-0.667	-0.362	0.218
C3	-1.878	0.050	-0.181
O4	1.677	-0.341	-0.260
H5	0.417	1.393	-0.418
H6	0.773	0.867	1.251
H7	-0.505	-1.372	0.594
H8	-2.750	-0.601	-0.143
H9	-2.047	1.055	-0.570
H10	2.512	0.192	-0.207

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5185	2.5294	1.4739	1.1031	1.1043	2.2024	3.5257	2.7943	2.0094
C2	1.5185		1.3402	2.3922	2.1585	2.1565	1.0902	2.1275	2.1297	3.2548
C3	2.5294	1.3402		3.5772	2.6692	3.1219	2.1237	1.0888	1.0912	4.3925
O4	1.4739	2.3922	3.5772		2.1492	2.1354	2.5601	4.4359	3.9892	0.9920
H5	1.1031	2.1585	2.6692	2.1492		1.7860	3.0857	3.7521	2.4914	2.4246
H6	1.1043	2.1565	3.1219	2.1354	1.7860		2.6608	4.0631	3.3622	2.3680
H7	2.2024	1.0902	2.1237	2.5601	3.0857	2.6608		2.4857	3.1030	3.4915
H8	3.5257	2.1275	1.0888	4.4359	3.7521	4.0631	2.4857		1.8493	5.3217
H9	2.7943	2.1297	1.0912	3.9892	2.4914	3.3622	3.1030	1.8493		4.6545
H10	2.0094	3.2548	4.3925	0.9920	2.4246	2.3680	3.4915	5.3217	4.6545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.335	C1	C2	H7	114.179
C1	O4	H10	107.539	C2	C1	O4	106.138
C2	C1	H5	109.825	C2	C1	H6	109.604
C2	C3	H8	121.960	C2	C3	H9	121.980
C3	C2	H7	121.472	O4	C1	H5	112.220
O4	C1	H6	111.026	H5	C1	H6	108.011
H8	C3	H9	116.059

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

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

States and conformations

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