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	hartrees
Energy at 0K	-192.646316
Energy at 298.15K	-192.652574
HF Energy	-191.972418
Nuclear repulsion energy	116.404819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3920	3740	21.89
2	A	3247	3098	17.79
3	A	3181	3035	6.85
4	A	3156	3011	10.97
5	A	3049	2909	50.76
6	A	3008	2870	56.60
7	A	1724	1645	0.85
8	A	1540	1469	2.03
9	A	1505	1436	13.53
10	A	1448	1381	2.96
11	A	1318	1258	10.48
12	A	1307	1247	28.20
13	A	1271	1213	55.93
14	A	1183	1129	12.42
15	A	1108	1057	73.26
16	A	1023	976	19.68
17	A	978	933	5.07
18	A	933	890	27.83
19	A	928	885	9.59
20	A	654	624	4.65
21	A	449	428	3.82
22	A	338	323	10.67
23	A	261	249	118.25
24	A	115	110	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.593	0.453	0.288
C2	-0.668	-0.365	0.258
C3	-1.837	0.080	-0.218
O4	1.623	-0.299	-0.345
H5	0.424	1.414	-0.220
H6	0.857	0.663	1.337
H7	-0.580	-1.372	0.664
H8	-2.730	-0.538	-0.201
H9	-1.934	1.079	-0.639
H10	2.449	0.142	-0.150

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5033	2.5100	1.4233	1.1005	1.1020	2.2015	3.5024	2.7642	1.9322
C2	1.5033		1.3383	2.3693	2.1412	2.1326	1.0895	2.1200	2.1198	3.1845
C3	2.5100	1.3383		3.4823	2.6247	3.1649	2.1136	1.0865	1.0884	4.2872
O4	1.4233	2.3693	3.4823		2.0947	2.0836	2.6494	4.3618	3.8257	0.9575
H5	1.1005	2.1412	2.6247	2.0947		1.7825	3.0904	3.7092	2.4183	2.3928
H6	1.1020	2.1326	3.1649	2.0836	1.7825		2.5805	4.0840	3.4458	2.2399
H7	2.2015	1.0895	2.1136	2.6494	3.0904	2.5805		2.4637	3.0889	3.4830
H8	3.5024	2.1200	1.0865	4.3618	3.7092	4.0840	2.4637		1.8547	5.2245
H9	2.7642	2.1198	1.0884	3.8257	2.4183	3.4458	3.0889	1.8547		4.5092
H10	1.9322	3.1845	4.2872	0.9575	2.3928	2.2399	3.4830	5.2245	4.5092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.987	C1	C2	H7	115.296
C1	O4	H10	106.866	C2	C1	O4	108.075
C2	C1	H5	109.666	C2	C1	H6	108.908
C2	C3	H8	121.575	C2	C3	H9	121.404
C3	C2	H7	120.715	O4	C1	H5	111.551
O4	C1	H6	110.554	H5	C1	H6	108.056
H8	C3	H9	117.021

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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