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	hartrees
Energy at 0K	-192.656499
Energy at 298.15K	-192.662792
HF Energy	-191.951071
Nuclear repulsion energy	115.596714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3795	3685
2	A	3233	3140
3	A	3162	3071
4	A	3134	3044
5	A	3089	3000
6	A	3011	2924
7	A	1677	1629
8	A	1488	1445
9	A	1446	1404
10	A	1401	1361
11	A	1334	1296
12	A	1292	1255
13	A	1217	1182
14	A	1138	1105
15	A	1046	1016
16	A	992	963
17	A	935	908
18	A	930	903
19	A	914	887
20	A	652	633
21	A	434	421
22	A	341	331
23	A	322	312
24	A	118	115

Atom	x (Å)	y (Å)	z (Å)
C1	0.611	0.511	0.267
C2	-0.664	-0.292	0.381
C3	-1.808	0.030	-0.269
O4	1.697	-0.282	-0.252
H5	0.439	1.408	-0.361
H6	0.953	0.847	1.261
H7	-0.621	-1.188	1.016
H8	-2.715	-0.576	-0.171
H9	-1.864	0.918	-0.911
H10	1.400	-0.650	-1.096

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5111	2.5240	1.4413	1.1085	1.1034	2.2280	3.5266	2.7707	1.9572
C2	1.5111		1.3546	2.4446	2.1582	2.1648	1.0988	2.1430	2.1384	2.5639
C3	2.5240	1.3546		3.5187	2.6378	3.2609	2.1314	1.0953	1.0974	3.3822
O4	1.4413	2.4446	3.5187		2.1095	2.0288	2.7930	4.4225	3.8144	0.9676
H5	1.1085	2.1582	2.6378	2.1095		1.7914	3.1237	3.7313	2.4176	2.3881
H6	1.1034	2.1648	3.2609	2.0288	1.7914		2.5842	4.1873	3.5577	2.8280
H7	2.2280	1.0988	2.1314	2.7930	3.1237	2.5842		2.4837	3.1132	2.9723
H8	3.5266	2.1430	1.0953	4.4225	3.7313	4.1873	2.4837		1.8724	4.2186
H9	2.7707	2.1384	1.0974	3.8144	2.4176	3.5577	3.1132	1.8724		3.6257
H10	1.9572	2.5639	3.3822	0.9676	2.3881	2.8280	2.9723	4.2186	3.6257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.378	C1	C2	H7	116.338
C1	O4	H10	107.030	C2	C1	O4	111.763
C2	C1	H5	109.994	C2	C1	H6	110.818
C2	C3	H8	121.674	C2	C3	H9	121.047
C3	C2	H7	120.271	O4	C1	H5	110.979
O4	C1	H6	104.963	H5	C1	H6	108.171
H8	C3	H9	117.278

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

using model chemistry: CCSD(T)=FULL/aug-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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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