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	hartrees
Energy at 0K	-191.334707
Energy at 298.15K	-191.337500
HF Energy	-190.744341
Nuclear repulsion energy	101.811204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3650	20.61
2	A'	3492	3318	45.85
3	A'	3045	2894	47.53
4	A'	2150	2044	5.33
5	A'	1556	1478	1.44
6	A'	1491	1416	20.24
7	A'	1274	1210	100.26
8	A'	1104	1049	94.03
9	A'	926	880	13.99
10	A'	603	573	31.57
11	A'	540	513	10.27
12	A'	201	191	7.69
13	A"	3085	2931	35.53
14	A"	1288	1224	0.19
15	A"	1034	983	8.11
16	A"	543	516	43.90
17	A"	231	219	36.35
18	A"	113	107	128.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.671	-0.508	0.000
C2	0.000	0.793	0.000
C3	0.553	1.876	0.000
O4	0.305	-1.534	0.000
H5	-1.318	-0.560	0.887
H6	-1.318	-0.560	-0.887
H7	1.057	2.814	0.000
H8	-0.149	-2.380	0.000

	C1	C2	C3	O4	H5	H6	H7	H8
C1		1.4640	2.6801	1.4159	1.0987	1.0987	3.7450	1.9434
C2	1.4640		1.2162	2.3465	2.0861	2.0861	2.2811	3.1762
C3	2.6801	1.2162		3.4189	3.1965	3.1965	1.0650	4.3133
O4	1.4159	2.3465	3.4189		2.0901	2.0901	4.4126	0.9598
H5	1.0987	2.0861	3.1965	2.0901		1.7737	4.2199	2.3383
H6	1.0987	2.0861	3.1965	2.0901	1.7737		4.2199	2.3383
H7	3.7450	2.2811	1.0650	4.4126	4.2199	4.2199		5.3321
H8	1.9434	3.1762	4.3133	0.9598	2.3383	2.3383	5.3321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	179.745	C1	O4	H8	108.239
C2	C1	O4	109.125	C2	C1	H5	108.139
C2	C1	H6	108.139	C2	C3	H7	178.778
O4	C1	H5	111.828	O4	C1	H6	111.828
H5	C1	H6	107.649

All results from a given calculation for C₃H₄O (2-Propyn-1-ol)

using model chemistry: MP2/6-311G*

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 C3H4O (2-Propyn-1-ol)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₄O (2-Propyn-1-ol)