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	hartrees
Energy at 0K	-192.778902
Energy at 298.15K
HF Energy	-191.999711
Nuclear repulsion energy	116.825716

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.448	0.295
C2	-0.669	-0.366	0.255
C3	-1.827	0.083	-0.221
O4	1.619	-0.299	-0.338
H5	0.425	1.404	-0.212
H6	0.855	0.654	1.337
H7	-0.591	-1.370	0.655
H8	-2.718	-0.530	-0.208
H9	-1.916	1.079	-0.636
H10	2.448	0.163	-0.210

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4963	2.4942	1.4230	1.0940	1.0956	2.1959	3.4818	2.7434	1.9504
C2	1.4963		1.3295	2.3646	2.1320	2.1290	1.0841	2.1067	2.1063	3.1959
C3	2.4942	1.3295		3.4688	2.6103	3.1536	2.0986	1.0811	1.0831	4.2758
O4	1.4230	2.3646	3.4688		2.0840	2.0723	2.6492	4.3447	3.8061	0.9576
H5	1.0940	2.1320	2.6103	2.0840		1.7736	3.0789	3.6894	2.4010	2.3742
H6	1.0956	2.1290	3.1536	2.0723	1.7736		2.5799	4.0686	3.4283	2.2740
H7	2.1959	1.0841	2.0986	2.6492	3.0789	2.5799		2.4439	3.0694	3.5124
H8	3.4818	2.1067	1.0811	4.3447	3.6894	4.0686	2.4439		1.8474	5.2121
H9	2.7434	2.1063	1.0831	3.8061	2.4010	3.4283	3.0694	1.8474		4.4800
H10	1.9504	3.1959	4.2758	0.9576	2.3742	2.2740	3.5124	5.2121	4.4800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.820	C1	C2	H7	115.718
C1	O4	H10	108.448	C2	C1	O4	108.170
C2	C1	H5	109.814	C2	C1	H6	109.489
C2	C3	H8	121.489	C2	C3	H9	121.291
C3	C2	H7	120.460	O4	C1	H5	111.106
O4	C1	H6	110.059	H5	C1	H6	108.193
H8	C3	H9	117.220

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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