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	hartrees
Energy at 0K	-192.681734
Energy at 298.15K	-192.688003
HF Energy	-191.972500
Nuclear repulsion energy	116.701765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3912	3711	28.46
2	A	3285	3116	12.88
3	A	3209	3044	6.02
4	A	3184	3021	7.99
5	A	3084	2925	46.93
6	A	3035	2879	53.85
7	A	1711	1623	0.51
8	A	1535	1456	2.23
9	A	1496	1419	13.69
10	A	1440	1366	2.31
11	A	1314	1246	8.41
12	A	1303	1236	16.96
13	A	1264	1199	56.94
14	A	1182	1121	12.85
15	A	1101	1045	78.97
16	A	1029	976	24.32
17	A	978	927	4.98
18	A	932	884	4.75
19	A	925	878	33.70
20	A	660	626	4.83
21	A	449	426	3.87
22	A	339	321	11.38
23	A	266	252	118.70
24	A	117	111	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.590	0.449	0.296
C2	-0.664	-0.364	0.266
C3	-1.826	0.081	-0.224
O4	1.613	-0.297	-0.354
H5	0.415	1.414	-0.200
H6	0.861	0.648	1.343
H7	-0.584	-1.366	0.679
H8	-2.720	-0.534	-0.210
H9	-1.911	1.075	-0.652
H10	2.441	0.141	-0.153

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4951	2.4991	1.4231	1.0986	1.0997	2.1963	3.4894	2.7475	1.9294
C2	1.4951		1.3371	2.3606	2.1308	2.1237	1.0876	2.1164	2.1140	3.1738
C3	2.4991	1.3371		3.4621	2.6076	3.1620	2.1102	1.0843	1.0861	4.2685
O4	1.4231	2.3606	3.4621		2.0945	2.0830	2.6527	4.3410	3.7937	0.9587
H5	1.0986	2.1308	2.6076	2.0945		1.7794	3.0824	3.6901	2.3937	2.3935
H6	1.0997	2.1237	3.1620	2.0830	1.7794		2.5667	4.0775	3.4423	2.2343
H7	2.1963	1.0876	2.1102	2.6527	3.0824	2.5667		2.4580	3.0816	3.4812
H8	3.4894	2.1164	1.0843	4.3410	3.6901	4.0775	2.4580		1.8543	5.2049
H9	2.7475	2.1140	1.0861	3.7937	2.3937	3.4423	3.0816	1.8543		4.4797
H10	1.9294	3.1738	4.2685	0.9587	2.3935	2.2343	3.4812	5.2049	4.4797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.766	C1	C2	H7	115.603
C1	O4	H10	106.569	C2	C1	O4	107.953
C2	C1	H5	109.529	C2	C1	H6	108.905
C2	C3	H8	121.503	C2	C3	H9	121.122
C3	C2	H7	120.631	O4	C1	H5	111.674
O4	C1	H6	110.658	H5	C1	H6	108.085
H8	C3	H9	117.375

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

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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