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	hartrees
Energy at 0K	-192.577785
Energy at 298.15K	-192.584050
HF Energy	-191.938267
Nuclear repulsion energy	116.470397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3922	3696	26.27
2	A	3316	3124	16.08
3	A	3245	3058	6.16
4	A	3221	3035	11.16
5	A	3121	2941	40.44
6	A	3073	2895	51.82
7	A	1759	1658	0.51
8	A	1571	1480	1.39
9	A	1518	1431	15.67
10	A	1460	1376	6.28
11	A	1344	1267	0.25
12	A	1306	1230	15.95
13	A	1259	1186	62.93
14	A	1192	1123	24.91
15	A	1099	1036	81.46
16	A	1028	968	22.55
17	A	991	934	7.06
18	A	949	894	40.44
19	A	944	889	3.42
20	A	661	623	5.26
21	A	449	423	3.66
22	A	344	324	12.40
23	A	264	249	141.80
24	A	111	104	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.452	0.303
C2	-0.669	-0.364	0.269
C3	-1.828	0.081	-0.229
O4	1.616	-0.300	-0.350
H5	0.426	1.411	-0.200
H6	0.872	0.653	1.342
H7	-0.594	-1.362	0.686
H8	-2.720	-0.529	-0.218
H9	-1.916	1.070	-0.662
H10	2.459	0.142	-0.207

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4988	2.5011	1.4311	1.0946	1.0960	2.1989	3.4897	2.7537	1.9640
C2	1.4988		1.3372	2.3686	2.1370	2.1354	1.0846	2.1147	2.1159	3.2045
C3	2.5011	1.3372		3.4673	2.6166	3.1751	2.1074	1.0814	1.0832	4.2876
O4	1.4311	2.3686	3.4673		2.0894	2.0797	2.6623	4.3447	3.8017	0.9623
H5	1.0946	2.1370	2.6166	2.0894		1.7747	3.0843	3.6961	2.4112	2.3969
H6	1.0960	2.1354	3.1751	2.0797	1.7747		2.5773	4.0908	3.4584	2.2760
H7	2.1989	1.0846	2.1074	2.6623	3.0843	2.5773		2.4557	3.0788	3.5189
H8	3.4897	2.1147	1.0814	4.3447	3.6961	4.0908	2.4557		1.8443	5.2229
H9	2.7537	2.1159	1.0832	3.8017	2.4112	3.4584	3.0788	1.8443		4.4960
H10	1.9640	3.2045	4.2876	0.9623	2.3969	2.2760	3.5189	5.2229	4.4960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.649	C1	C2	H7	115.746
C1	O4	H10	108.703	C2	C1	O4	107.861
C2	C1	H5	109.998	C2	C1	H6	109.785
C2	C3	H8	121.580	C2	C3	H9	121.549
C3	C2	H7	120.604	O4	C1	H5	110.930
O4	C1	H6	110.053	H5	C1	H6	108.213
H8	C3	H9	116.871

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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