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	hartrees
Energy at 0K	-192.428909
Energy at 298.15K	-192.435269
HF Energy	-191.914982
Nuclear repulsion energy	116.996878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3927	3628	28.23
2	A	3351	3095	16.66
3	A	3286	3036	5.19
4	A	3264	3015	10.77
5	A	3149	2909	54.18
6	A	3105	2868	56.39
7	A	1826	1687	0.64
8	A	1614	1490	1.23
9	A	1560	1441	16.67
10	A	1505	1390	5.85
11	A	1380	1274	1.21
12	A	1340	1238	33.01
13	A	1309	1209	69.65
14	A	1222	1129	26.03
15	A	1153	1065	70.10
16	A	1080	998	13.61
17	A	1028	950	10.55
18	A	1006	930	40.72
19	A	966	893	3.10
20	A	683	631	4.44
21	A	467	432	4.25
22	A	347	321	11.51
23	A	282	261	143.96
24	A	117	108	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.457	0.277
C2	-0.665	-0.362	0.245
C3	-1.830	0.076	-0.210
O4	1.621	-0.307	-0.319
H5	0.429	1.400	-0.255
H6	0.840	0.699	1.315
H7	-0.570	-1.366	0.641
H8	-2.716	-0.542	-0.190
H9	-1.944	1.070	-0.622
H10	2.449	0.169	-0.212

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4952	2.4932	1.4177	1.0942	1.0960	2.1885	3.4811	2.7538	1.9477
C2	1.4952		1.3248	2.3553	2.1338	2.1291	1.0835	2.1046	2.1067	3.1920
C3	2.4932	1.3248		3.4736	2.6191	3.1367	2.0955	1.0806	1.0823	4.2798
O4	1.4177	2.3553	3.4736		2.0830	2.0716	2.6154	4.3455	3.8339	0.9611
H5	1.0942	2.1338	2.6191	2.0830		1.7680	3.0744	3.6973	2.4243	2.3659
H6	1.0960	2.1291	3.1367	2.0716	1.7680		2.5889	4.0557	3.4116	2.2808
H7	2.1885	1.0835	2.0955	2.6154	3.0744	2.5889		2.4452	3.0690	3.4920
H8	3.4811	2.1046	1.0806	4.3455	3.6973	4.0557	2.4452		1.8386	5.2140
H9	2.7538	2.1067	1.0823	3.8339	2.4243	3.4116	3.0690	1.8386		4.5034
H10	1.9477	3.1920	4.2798	0.9611	2.3659	2.2808	3.4920	5.2140	4.5034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.175	C1	C2	H7	115.204
C1	O4	H10	108.397	C2	C1	O4	107.886
C2	C1	H5	110.020	C2	C1	H6	109.539
C2	C3	H8	121.744	C2	C3	H9	121.817
C3	C2	H7	120.616	O4	C1	H5	111.397
O4	C1	H6	110.341	H5	C1	H6	107.654
H8	C3	H9	116.439

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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