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	hartrees
Energy at 0K	-191.273576
Energy at 298.15K	-191.279753
HF Energy	-190.845655
Nuclear repulsion energy	114.645051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3470	3335	2.56
2	A	3197	3073	18.79
3	A	3152	3029	2.70
4	A	3115	2994	9.31
5	A	3002	2885	54.66
6	A	2972	2857	42.53
7	A	1694	1628	0.99
8	A	1595	1533	1.65
9	A	1517	1458	5.93
10	A	1468	1411	4.18
11	A	1344	1292	0.13
12	A	1291	1240	49.29
13	A	1260	1211	21.55
14	A	1165	1119	10.35
15	A	1032	992	20.09
16	A	1023	983	6.36
17	A	994	955	44.33
18	A	953	916	41.37
19	A	904	869	6.88
20	A	627	602	3.88
21	A	460	442	4.57
22	A	311	299	11.69
23	A	278	268	148.31
24	A	93	89	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.514	0.222
C2	-0.666	-0.363	0.216
C3	-1.882	0.049	-0.179
O4	1.680	-0.342	-0.256
H5	0.416	1.393	-0.427
H6	0.769	0.877	1.247
H7	-0.500	-1.374	0.589
H8	-2.752	-0.605	-0.140
H9	-2.053	1.055	-0.565
H10	2.516	0.194	-0.204

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5197	2.5322	1.4775	1.1038	1.1049	2.2037	3.5289	2.7966	2.0122
C2	1.5197		1.3426	2.3935	2.1604	2.1583	1.0906	2.1299	2.1320	3.2572
C3	2.5322	1.3426		3.5840	2.6735	3.1214	2.1266	1.0893	1.0917	4.3995
O4	1.4775	2.3935	3.5840		2.1537	2.1394	2.5561	4.4417	3.9986	0.9940
H5	1.1038	2.1604	2.6735	2.1537		1.7872	3.0868	3.7564	2.4963	2.4281
H6	1.1049	2.1583	3.1214	2.1394	1.7872		2.6660	4.0637	3.3587	2.3714
H7	2.2037	1.0906	2.1266	2.5561	3.0868	2.6660		2.4889	3.1059	3.4903
H8	3.5289	2.1299	1.0893	4.4417	3.7564	4.0637	2.4889		1.8506	5.3283
H9	2.7966	2.1320	1.0917	3.9986	2.4963	3.3587	3.1059	1.8506		4.6634
H10	2.0122	3.2572	4.3995	0.9940	2.4281	2.3714	3.4903	5.3283	4.6634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.308	C1	C2	H7	114.166
C1	O4	H10	107.393	C2	C1	O4	105.982
C2	C1	H5	109.850	C2	C1	H6	109.620
C2	C3	H8	121.943	C2	C3	H9	121.950
C3	C2	H7	121.510	O4	C1	H5	112.286
O4	C1	H6	111.061	H5	C1	H6	108.022
H8	C3	H9	116.106

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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