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	hartrees
Energy at 0K	-192.942042
Energy at 298.15K	-192.948972
HF Energy	-192.729810
Nuclear repulsion energy	123.806240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3815	3669	28.70
2	A	3267	3143	11.86
3	A	3252	3128	2.15
4	A	3168	3047	6.41
5	A	3159	3038	14.79
6	A	3151	3030	25.74
7	A	1503	1446	15.55
8	A	1449	1394	2.11
9	A	1402	1348	9.13
10	A	1295	1246	67.90
11	A	1233	1186	51.46
12	A	1185	1140	0.24
13	A	1179	1134	10.76
14	A	1117	1074	1.50
15	A	1050	1010	1.86
16	A	1032	992	21.76
17	A	981	944	13.12
18	A	931	895	21.54
19	A	830	798	10.11
20	A	811	780	7.32
21	A	748	719	4.18
22	A	406	390	11.04
23	A	401	385	9.44
24	A	301	290	104.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.014	0.485
C2	0.912	-0.746	-0.138
C3	0.889	0.778	-0.138
O4	-1.465	-0.112	-0.198
H5	-0.317	-0.020	1.574
H6	1.616	-1.259	0.515
H7	0.704	-1.241	-1.084
H8	1.574	1.313	0.517
H9	0.674	1.263	-1.089
H10	-1.926	0.731	-0.107

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4968	1.5089	1.4104	1.0922	2.2312	2.2026	2.2433	2.2212	1.9405
C2	1.4968		1.5242	2.4612	2.2289	1.0882	1.0881	2.2597	2.2358	3.2000
C3	1.5089	1.5242		2.5168	2.2410	2.2592	2.2371	1.0889	1.0886	2.8155
O4	1.4104	2.4612	2.5168		2.1135	3.3641	2.6014	3.4317	2.6947	0.9650
H5	1.0922	2.2289	2.2410	2.1135		2.5284	3.0984	2.5435	3.1178	2.4455
H6	2.2312	1.0882	2.2592	3.3641	2.5284		1.8408	2.5721	3.1337	4.1103
H7	2.2026	1.0881	2.2371	2.6014	3.0984	1.8408		3.1373	2.5045	3.4299
H8	2.2433	2.2597	1.0889	3.4317	2.5435	2.5721	3.1373		1.8415	3.6029
H9	2.2212	2.2358	1.0886	2.6947	3.1178	3.1337	2.5045	1.8415		2.8303
H10	1.9405	3.2000	2.8155	0.9650	2.4455	4.1103	3.4299	3.6029	2.8303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.924	C1	C2	H6	118.485
C1	C2	H7	115.987	C1	C3	C2	59.136
C1	C3	H8	118.535	C1	C3	H9	116.614
C1	O4	H10	108.087	C2	C1	C3	60.940
C2	C1	O4	115.651	C2	C1	H5	117.992
C2	C3	H8	118.767	C2	C3	H9	116.695
C3	C1	O4	119.074	C3	C1	H5	118.097
C3	C2	H6	118.776	C3	C2	H7	116.837
O4	C1	H5	114.640	H6	C2	H7	115.520
H8	C3	H9	115.496

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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 C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)