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	hartrees
Energy at 0K	-192.622022
Energy at 298.15K
HF Energy	-191.938583
Nuclear repulsion energy	123.493121

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.016	0.489
C2	0.915	-0.748	-0.140
C3	0.887	0.782	-0.138
O4	-1.467	-0.113	-0.198
H5	-0.318	-0.024	1.581
H6	1.625	-1.259	0.513
H7	0.705	-1.243	-1.090
H8	1.576	1.317	0.520
H9	0.668	1.269	-1.090
H10	-1.917	0.736	-0.115

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5031	1.5141	1.4124	1.0952	2.2395	2.2105	2.2505	2.2281	1.9372
C2	1.5031		1.5303	2.4665	2.2377	1.0919	1.0918	2.2667	2.2440	3.1979
C3	1.5141	1.5303		2.5197	2.2489	2.2662	2.2451	1.0925	1.0923	2.8047
O4	1.4124	2.4665	2.5197		2.1192	3.3741	2.6062	3.4386	2.6960	0.9646
H5	1.0952	2.2377	2.2489	2.1192		2.5384	3.1091	2.5526	3.1277	2.4515
H6	2.2395	1.0919	2.2662	3.3741	2.5384		1.8488	2.5772	3.1438	4.1141
H7	2.2105	1.0918	2.2451	2.6062	3.1091	1.8488		3.1473	2.5129	3.4269
H8	2.2505	2.2667	1.0925	3.4386	2.5526	2.5772	3.1473		1.8491	3.5976
H9	2.2281	2.2440	1.0923	2.6960	3.1277	3.1438	2.5129	1.8491		2.8139
H10	1.9372	3.1979	2.8047	0.9646	2.4515	4.1141	3.4269	3.5976	2.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.877	C1	C2	H6	118.454
C1	C2	H7	115.925	C1	C3	C2	59.171
C1	C3	H8	118.508	C1	C3	H9	116.556
C1	O4	H10	107.680	C2	C1	C3	60.952
C2	C1	O4	115.526	C2	C1	H5	118.055
C2	C3	H8	118.635	C2	C3	H9	116.670
C3	C1	O4	118.817	C3	C1	H5	118.175
C3	C2	H6	118.640	C3	C2	H7	116.802
O4	C1	H5	114.787	H6	C2	H7	115.698
H8	C3	H9	115.630

All results from a given calculation for C₃H₅OH (Cyclopropanol)

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

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)