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	hartrees
Energy at 0K	-191.234083
Energy at 298.15K	-191.240320
HF Energy	-190.846364
Nuclear repulsion energy	114.951650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3508	3348	1.20
2	A	3261	3113	15.98
3	A	3208	3062	3.01
4	A	3172	3028	8.16
5	A	3062	2922	57.45
6	A	3027	2890	40.96
7	A	1698	1620	0.77
8	A	1617	1544	1.62
9	A	1537	1467	6.14
10	A	1480	1413	5.86
11	A	1363	1301	0.12
12	A	1301	1241	33.18
13	A	1272	1214	32.14
14	A	1179	1126	11.47
15	A	1051	1003	17.32
16	A	1042	994	11.53
17	A	999	954	52.50
18	A	968	924	41.95
19	A	919	877	7.68
20	A	644	615	4.00
21	A	463	442	4.43
22	A	315	300	12.45
23	A	283	270	149.38
24	A	98	94	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.510	0.232
C2	-0.665	-0.359	0.228
C3	-1.872	0.049	-0.189
O4	1.671	-0.342	-0.268
H5	0.408	1.395	-0.401
H6	0.778	0.860	1.256
H7	-0.512	-1.361	0.620
H8	-2.741	-0.599	-0.149
H9	-2.032	1.046	-0.593
H10	2.505	0.194	-0.217

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5126	2.5236	1.4769	1.1002	1.1009	2.1977	3.5159	2.7847	2.0083
C2	1.5126		1.3406	2.3878	2.1498	2.1501	1.0869	2.1240	2.1253	3.2483
C3	2.5236	1.3406		3.5651	2.6559	3.1250	2.1195	1.0852	1.0876	4.3792
O4	1.4769	2.3878	3.5651		2.1514	2.1361	2.5672	4.4213	3.9677	0.9928
H5	1.1002	2.1498	2.6559	2.1514		1.7801	3.0794	3.7360	2.4722	2.4230
H6	1.1009	2.1501	3.1250	2.1361	1.7801		2.6459	4.0602	3.3687	2.3657
H7	2.1977	1.0869	2.1195	2.5672	3.0794	2.6459		2.4781	3.0944	3.4959
H8	3.5159	2.1240	1.0852	4.4213	3.7360	4.0602	2.4781		1.8459	5.3063
H9	2.7847	2.1253	1.0876	3.9677	2.4722	3.3687	3.0944	1.8459		4.6312
H10	2.0083	3.2483	4.3792	0.9928	2.4230	2.3657	3.4959	5.3063	4.6312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.257	C1	C2	H7	114.439
C1	O4	H10	107.185	C2	C1	O4	106.006
C2	C1	H5	109.721	C2	C1	H6	109.704
C2	C3	H8	121.871	C2	C3	H9	121.801
C3	C2	H7	121.289	O4	C1	H5	112.367
O4	C1	H6	111.084	H5	C1	H6	107.941
H8	C3	H9	116.326

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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