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	hartrees
Energy at 0K	-192.764133
Energy at 298.15K	-192.770404
HF Energy	-191.996415
Nuclear repulsion energy	116.913583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3918	3658	32.05
2	A	3260	3044	12.55
3	A	3196	2984	4.81
4	A	3170	2960	8.48
5	A	3070	2866	38.62
6	A	3027	2826	48.50
7	A	1747	1631	1.12
8	A	1541	1439	1.39
9	A	1504	1405	14.53
10	A	1451	1355	4.59
11	A	1329	1241	0.70
12	A	1303	1217	19.77
13	A	1266	1182	60.17
14	A	1183	1104	16.54
15	A	1114	1040	79.53
16	A	1039	971	15.06
17	A	988	922	9.16
18	A	972	908	36.73
19	A	934	872	1.49
20	A	665	621	5.11
21	A	450	420	3.43
22	A	338	315	9.72
23	A	253	236	114.03
24	A	113	106	1.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.448	0.291
C2	-0.668	-0.365	0.254
C3	-1.827	0.082	-0.219
O4	1.619	-0.299	-0.337
H5	0.421	1.403	-0.215
H6	0.850	0.659	1.333
H7	-0.589	-1.369	0.653
H8	-2.717	-0.530	-0.205
H9	-1.918	1.078	-0.634
H10	2.446	0.160	-0.193

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4965	2.4945	1.4196	1.0937	1.0953	2.1950	3.4818	2.7440	1.9420
C2	1.4965		1.3288	2.3633	2.1291	2.1259	1.0834	2.1060	2.1052	3.1897
C3	2.4945	1.3288		3.4688	2.6071	3.1475	2.0972	1.0806	1.0824	4.2736
O4	1.4196	2.3633	3.4688		2.0850	2.0730	2.6463	4.3443	3.8069	0.9564
H5	1.0937	2.1291	2.6071	2.0850		1.7702	3.0758	3.6856	2.3981	2.3769
H6	1.0953	2.1259	3.1475	2.0730	1.7702		2.5785	4.0624	3.4214	2.2639
H7	2.1950	1.0834	2.0972	2.6463	3.0758	2.5785		2.4429	3.0674	3.5023
H8	3.4818	2.1060	1.0806	4.3443	3.6856	4.0624	2.4429		1.8460	5.2091
H9	2.7440	2.1052	1.0824	3.8069	2.3981	3.4214	3.0674	1.8460		4.4813
H10	1.9420	3.1897	4.2736	0.9564	2.3769	2.2639	3.5023	5.2091	4.4813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.881	C1	C2	H7	115.675
C1	O4	H10	108.049	C2	C1	O4	108.242
C2	C1	H5	109.584	C2	C1	H6	109.237
C2	C3	H8	121.530	C2	C3	H9	121.296
C3	C2	H7	120.442	O4	C1	H5	111.453
O4	C1	H6	110.367	H5	C1	H6	107.936
H8	C3	H9	117.174

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

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

States and conformations

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