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	hartrees
Energy at 0K	-192.264797
Energy at 298.15K	-192.271001
HF Energy	-191.836207
Nuclear repulsion energy	114.674542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3655	3507	2.91
2	A	3213	3083	26.32
3	A	3155	3027	5.96
4	A	3125	2998	13.70
5	A	3018	2896	54.53
6	A	2978	2858	45.93
7	A	1717	1648	0.33
8	A	1570	1506	1.15
9	A	1510	1449	7.37
10	A	1458	1399	4.24
11	A	1346	1291	0.01
12	A	1286	1234	36.62
13	A	1249	1198	29.77
14	A	1172	1125	17.04
15	A	1023	981	42.51
16	A	1017	976	16.53
17	A	994	953	33.38
18	A	949	911	41.50
19	A	928	890	1.50
20	A	644	618	4.02
21	A	451	433	4.23
22	A	328	315	13.25
23	A	273	262	180.69
24	A	99	95	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.579	0.490	0.270
C2	-0.672	-0.359	0.256
C3	-1.867	0.060	-0.214
O4	1.662	-0.326	-0.307
H5	0.424	1.412	-0.320
H6	0.837	0.785	1.306
H7	-0.553	-1.363	0.675
H8	-2.755	-0.575	-0.185
H9	-2.002	1.054	-0.651
H10	2.514	0.150	-0.247

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5123	2.5304	1.4736	1.1060	1.1072	2.2089	3.5294	2.7983	2.0318
C2	1.5123		1.3505	2.4014	2.1613	2.1653	1.0945	2.1395	2.1422	3.2660
C3	2.5304	1.3505		3.5513	2.6625	3.1857	2.1313	1.0921	1.0947	4.3824
O4	1.4736	2.4014	3.5513		2.1343	2.1246	2.6352	4.4254	3.9307	0.9781
H5	1.1060	2.1613	2.6625	2.1343		1.7914	3.1060	3.7515	2.4746	2.4430
H6	1.1072	2.1653	3.1857	2.1246	1.7914		2.6349	4.1200	3.4591	2.3721
H7	2.2089	1.0945	2.1313	2.6352	3.1060	2.6349		2.4914	3.1150	3.5422
H8	3.5294	2.1395	1.0921	4.4254	3.7515	4.1200	2.4914		1.8549	5.3190
H9	2.7983	2.1422	1.0947	3.9307	2.4746	3.4591	3.1150	1.8549		4.6237
H10	2.0318	3.2660	4.3824	0.9781	2.4430	2.3721	3.5422	5.3190	4.6237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.135	C1	C2	H7	114.910
C1	O4	H10	110.298	C2	C1	O4	107.066
C2	C1	H5	110.308	C2	C1	H6	110.547
C2	C3	H8	121.953	C2	C3	H9	122.003
C3	C2	H7	120.950	O4	C1	H5	110.853
O4	C1	H6	110.005	H5	C1	H6	108.076
H8	C3	H9	116.044

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

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

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