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	hartrees
Energy at 0K	-192.670102
Energy at 298.15K	-192.676379
HF Energy	-191.941973
Nuclear repulsion energy	116.821230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3929	3721	27.51
2	A	3290	3117	10.20
3	A	3224	3053	4.28
4	A	3200	3031	5.83
5	A	3088	2925	41.51
6	A	3043	2882	44.54
7	A	1751	1659	0.53
8	A	1554	1472	1.49
9	A	1511	1431	13.38
10	A	1457	1380	5.86
11	A	1334	1264	1.48
12	A	1305	1236	28.35
13	A	1275	1207	52.74
14	A	1184	1122	16.23
15	A	1124	1065	69.25
16	A	1048	993	12.15
17	A	991	939	8.02
18	A	976	925	29.74
19	A	934	885	1.94
20	A	664	629	3.92
21	A	451	427	3.63
22	A	334	316	9.27
23	A	267	253	115.70
24	A	113	107	1.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.591	0.456	0.281
C2	-0.666	-0.363	0.251
C3	-1.832	0.078	-0.214
O4	1.619	-0.307	-0.326
H5	0.428	1.406	-0.243
H6	0.848	0.690	1.323
H7	-0.573	-1.367	0.652
H8	-2.721	-0.539	-0.195
H9	-1.938	1.074	-0.629
H10	2.442	0.168	-0.209

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4998	2.5011	1.4175	1.0972	1.0989	2.1941	3.4909	2.7571	1.9364
C2	1.4998		1.3299	2.3577	2.1375	2.1333	1.0857	2.1107	2.1104	3.1859
C3	2.5011	1.3299		3.4742	2.6217	3.1496	2.1027	1.0827	1.0843	4.2742
O4	1.4175	2.3577	3.4742		2.0881	2.0762	2.6243	4.3490	3.8276	0.9567
H5	1.0972	2.1375	2.6217	2.0881		1.7726	3.0811	3.7022	2.4201	2.3637
H6	1.0989	2.1333	3.1496	2.0762	1.7726		2.5888	4.0692	3.4233	2.2718
H7	2.1941	1.0857	2.1027	2.6243	3.0811	2.5888		2.4535	3.0759	3.4907
H8	3.4909	2.1107	1.0827	4.3490	3.7022	4.0692	2.4535		1.8449	5.2112
H9	2.7571	2.1104	1.0843	3.8276	2.4201	3.4233	3.0759	1.8449		4.4916
H10	1.9364	3.1859	4.2742	0.9567	2.3637	2.2718	3.4907	5.2112	4.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.115	C1	C2	H7	115.187
C1	O4	H10	107.710	C2	C1	O4	107.803
C2	C1	H5	109.816	C2	C1	H6	109.380
C2	C3	H8	121.726	C2	C3	H9	121.559
C3	C2	H7	120.695	O4	C1	H5	111.637
O4	C1	H6	110.551	H5	C1	H6	107.643
H8	C3	H9	116.715

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

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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