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	hartrees
Energy at 0K	-191.273576
Energy at 298.15K	-191.279763
HF Energy	-190.845655
Nuclear repulsion energy	114.645051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3470	3363	2.56
2	A	3197	3098	18.79
3	A	3152	3055	2.70
4	A	3115	3019	9.31
5	A	3002	2909	54.66
6	A	2972	2881	42.53
7	A	1694	1641	0.99
8	A	1595	1546	1.65
9	A	1517	1470	5.93
10	A	1468	1422	4.18
11	A	1344	1303	0.13
12	A	1291	1251	49.29
13	A	1260	1221	21.55
14	A	1165	1129	10.35
15	A	1032	1000	20.09
16	A	1023	991	6.36
17	A	994	964	44.33
18	A	953	923	41.37
19	A	904	876	6.88
20	A	627	607	3.88
21	A	460	446	4.57
22	A	311	302	11.69
23	A	278	270	148.31
24	A	93	90	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.514	0.222
C2	-0.666	-0.363	0.216
C3	-1.882	0.049	-0.179
O4	1.680	-0.342	-0.256
H5	0.416	1.393	-0.427
H6	0.769	0.877	1.247
H7	-0.500	-1.374	0.589
H8	-2.752	-0.605	-0.140
H9	-2.053	1.055	-0.565
H10	2.516	0.194	-0.204

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5197	2.5322	1.4775	1.1038	1.1049	2.2037	3.5289	2.7966	2.0122
C2	1.5197		1.3426	2.3935	2.1604	2.1583	1.0906	2.1299	2.1320	3.2572
C3	2.5322	1.3426		3.5840	2.6735	3.1214	2.1266	1.0893	1.0917	4.3995
O4	1.4775	2.3935	3.5840		2.1537	2.1394	2.5561	4.4417	3.9986	0.9940
H5	1.1038	2.1604	2.6735	2.1537		1.7872	3.0868	3.7564	2.4963	2.4281
H6	1.1049	2.1583	3.1214	2.1394	1.7872		2.6660	4.0637	3.3587	2.3714
H7	2.2037	1.0906	2.1266	2.5561	3.0868	2.6660		2.4889	3.1059	3.4903
H8	3.5289	2.1299	1.0893	4.4417	3.7564	4.0637	2.4889		1.8507	5.3283
H9	2.7966	2.1320	1.0917	3.9986	2.4963	3.3587	3.1059	1.8507		4.6634
H10	2.0122	3.2572	4.3995	0.9940	2.4281	2.3714	3.4903	5.3283	4.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.308	C1	C2	H7	114.166
C1	O4	H10	107.393	C2	C1	O4	105.982
C2	C1	H5	109.850	C2	C1	H6	109.620
C2	C3	H8	121.943	C2	C3	H9	121.950
C3	C2	H7	121.510	O4	C1	H5	112.286
O4	C1	H6	111.061	H5	C1	H6	108.022
H8	C3	H9	116.106

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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