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	hartrees
Energy at 0K	-192.577284
Energy at 298.15K	-192.583549
HF Energy	-191.935363
Nuclear repulsion energy	116.158685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3916	3682	26.35
2	A	3294	3097	13.98
3	A	3220	3028	6.13
4	A	3195	3005	8.50
5	A	3076	2893	57.14
6	A	3032	2851	57.44
7	A	1754	1650	0.67
8	A	1524	1433	1.25
9	A	1502	1412	14.03
10	A	1443	1357	5.28
11	A	1315	1237	5.12
12	A	1298	1220	41.66
13	A	1267	1191	50.04
14	A	1177	1106	18.19
15	A	1130	1062	64.04
16	A	1029	968	16.33
17	A	981	923	4.04
18	A	952	895	31.36
19	A	932	876	1.77
20	A	656	617	4.55
21	A	449	422	3.78
22	A	332	313	9.48
23	A	268	252	115.40
24	A	113	106	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.596	0.450	0.285
C2	-0.667	-0.369	0.249
C3	-1.843	0.083	-0.214
O4	1.629	-0.302	-0.334
H5	0.424	1.417	-0.225
H6	0.849	0.672	1.342
H7	-0.580	-1.389	0.642
H8	-2.741	-0.540	-0.197
H9	-1.944	1.094	-0.623
H10	2.449	0.178	-0.189

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5057	2.5164	1.4193	1.1077	1.1092	2.2112	3.5142	2.7735	1.9324
C2	1.5057		1.3421	2.3695	2.1463	2.1398	1.0964	2.1285	2.1287	3.1944
C3	2.5164	1.3421		3.4950	2.6304	3.1649	2.1201	1.0934	1.0953	4.2935
O4	1.4193	2.3695	3.4950		2.1019	2.0891	2.6480	4.3786	3.8467	0.9618
H5	1.1077	2.1463	2.6304	2.1019		1.7872	3.1040	3.7217	2.4228	2.3746
H6	1.1092	2.1398	3.1649	2.0891	1.7872		2.6036	4.0903	3.4412	2.2692
H7	2.2112	1.0964	2.1201	2.6480	3.1040	2.6036		2.4692	3.1027	3.5105
H8	3.5142	2.1285	1.0934	4.3786	3.7217	4.0903	2.4692		1.8675	5.2402
H9	2.7735	2.1287	1.0953	3.8467	2.4228	3.4412	3.1027	1.8675		4.5088
H10	1.9324	3.1944	4.2935	0.9618	2.3746	2.2692	3.5105	5.2402	4.5088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.067	C1	C2	H7	115.477
C1	O4	H10	106.924	C2	C1	O4	108.177
C2	C1	H5	109.482	C2	C1	H6	108.889
C2	C3	H8	121.501	C2	C3	H9	121.374
C3	C2	H7	120.453	O4	C1	H5	111.974
O4	C1	H6	110.833	H5	C1	H6	107.442
H8	C3	H9	117.125

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

using model chemistry: MP3=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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