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	hartrees
Energy at 0K	-192.578648
Energy at 298.15K	-192.585669
HF Energy	-191.924737
Nuclear repulsion energy	123.787726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3847	3847	24.68
2	A	3278	3278	12.08
3	A	3262	3262	2.77
4	A	3180	3180	4.50
5	A	3167	3167	12.74
6	A	3148	3148	35.70
7	A	1534	1534	18.48
8	A	1452	1452	1.60
9	A	1434	1434	3.96
10	A	1337	1337	103.55
11	A	1255	1255	27.02
12	A	1205	1205	5.11
13	A	1198	1198	0.19
14	A	1138	1138	0.49
15	A	1079	1079	1.85
16	A	1068	1068	15.27
17	A	1007	1007	8.35
18	A	954	954	24.23
19	A	845	845	9.95
20	A	826	826	5.17
21	A	763	763	2.94
22	A	411	411	26.71
23	A	406	406	5.35
24	A	339	339	97.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	-0.015	0.485
C2	0.913	-0.746	-0.136
C3	0.885	0.779	-0.138
O4	-1.462	-0.113	-0.200
H5	-0.313	-0.019	1.581
H6	1.624	-1.258	0.518
H7	0.703	-1.245	-1.087
H8	1.577	1.316	0.518
H9	0.669	1.266	-1.094
H10	-1.901	0.741	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5016	1.5132	1.4014	1.0991	2.2428	2.2084	2.2551	2.2279	1.9129
C2	1.5016		1.5250	2.4579	2.2322	1.0938	1.0937	2.2633	2.2411	3.1824
C3	1.5132	1.5250		2.5115	2.2425	2.2635	2.2423	1.0944	1.0943	2.7867
O4	1.4014	2.4579	2.5115		2.1215	3.3684	2.5989	3.4342	2.6910	0.9658
H5	1.0991	2.2322	2.2425	2.1215		2.5335	3.1075	2.5471	3.1260	2.4320
H6	2.2428	1.0938	2.2635	3.3684	2.5335		1.8504	2.5745	3.1429	4.0984
H7	2.2084	1.0937	2.2423	2.5989	3.1075	1.8504		3.1461	2.5106	3.4211
H8	2.2551	2.2633	1.0944	3.4342	2.5471	2.5745	3.1461		1.8505	3.5787
H9	2.2279	2.2411	1.0943	2.6910	3.1260	3.1429	2.5106	1.8505		2.8063
H10	1.9129	3.1824	2.7867	0.9658	2.4320	4.0984	3.4211	3.5787	2.8063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.993	C1	C2	H6	118.730
C1	C2	H7	115.739	C1	C3	C2	59.237
C1	C3	H8	118.844	C1	C3	H9	116.464
C1	O4	H10	106.353	C2	C1	C3	60.771
C2	C1	O4	115.662	C2	C1	H5	117.417
C2	C3	H8	118.630	C2	C3	H9	116.700
C3	C1	O4	118.959	C3	C1	H5	117.402
C3	C2	H6	118.691	C3	C2	H7	116.849
O4	C1	H5	115.551	H6	C2	H7	115.541
H8	C3	H9	115.443

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)