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	hartrees
Energy at 0K	-189.485068
Energy at 298.15K	-189.491375
HF Energy	-189.485068
Nuclear repulsion energy	116.019115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4226	3451	27.19
2	A	3809	3110	0.02
3	A	3717	3035	3.84
4	A	3652	2982	30.27
5	A	3646	2977	9.20
6	A	3530	2883	7.10
7	A	2070	1690	0.15
8	A	1829	1494	0.82
9	A	1778	1452	15.78
10	A	1705	1392	4.09
11	A	1542	1259	16.39
12	A	1516	1238	34.47
13	A	1449	1183	7.11
14	A	1326	1083	5.01
15	A	1317	1075	2.76
16	A	1242	1014	3.79
17	A	1163	949	16.25
18	A	1118	913	3.26
19	A	1054	861	3.21
20	A	751	613	1.51
21	A	484	395	1.71
22	A	364	297	11.99
23	A	336	274	74.43
24	A	90	73	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.598	0.454	0.288
C2	-0.696	-0.357	0.258
C3	-1.832	0.080	-0.223
O4	1.640	-0.325	-0.324
H5	0.447	1.406	-0.234
H6	0.852	0.689	1.332
H7	-0.618	-1.354	0.676
H8	-2.728	-0.525	-0.216
H9	-1.934	1.070	-0.649
H10	2.441	0.253	-0.251

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5273	2.5106	1.4384	1.0966	1.0994	2.2133	3.5029	2.7693	1.9314
C2	1.5273		1.3081	2.4079	2.1582	2.1551	1.0845	2.0926	2.0949	3.2367
C3	2.5106	1.3081		3.4966	2.6366	3.1607	2.0828	1.0813	1.0817	4.2765
O4	1.4384	2.4079	3.4966		2.1046	2.0960	2.6758	4.3735	3.8507	0.9912
H5	1.0966	2.1582	2.6366	2.1046		1.7693	3.0959	3.7162	2.4409	2.3033
H6	1.0994	2.1551	3.1607	2.0960	1.7693		2.6014	4.0844	3.4395	2.2854
H7	2.2133	1.0845	2.0828	2.6758	3.0959	2.6014		2.4356	3.0596	3.5787
H8	3.5029	2.0926	1.0813	4.3735	3.7162	4.0844	2.4356		1.8327	5.2273
H9	2.7693	2.0949	1.0817	3.8507	2.4409	3.4395	3.0596	1.8327		4.4689
H10	1.9314	3.2367	4.2765	0.9912	2.3033	2.2854	3.5787	5.2273	4.4689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.430	C1	C2	H7	114.810
C1	O4	H10	103.768	C2	C1	O4	108.530
C2	C1	H5	109.580	C2	C1	H6	109.172
C2	C3	H8	121.985	C2	C3	H9	122.183
C3	C2	H7	120.760	O4	C1	H5	111.526
O4	C1	H6	110.654	H5	C1	H6	107.351
H8	C3	H9	115.831

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

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	0.001
2	C	-0.052
3	C	-0.134
4	O	-0.283
5	H	0.052
6	H	0.053
7	H	0.066
8	H	0.064
9	H	0.060
10	H	0.173

	x	y	z	Total
	0.234	1.312	0.645	1.481
CHELPG
AIM
ESP

	x	y	z
x	4.603	-0.111	0.606
y	-0.111	2.442	-0.424
z	0.606	-0.424	1.641

<r²>	92.765
(<r²>)^1/2	9.631

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

using model chemistry: HF/STO-3G

States and conformations

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