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	hartrees
Energy at 0K	-191.755175
Energy at 298.15K
HF Energy	-191.623645
Nuclear repulsion energy	122.908370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3481	0.53
2	A	3301	3301	8.56
3	A	3284	3284	1.99
4	A	3203	3203	3.91
5	A	3193	3193	8.56
6	A	3165	3165	35.49
7	A	1538	1538	6.21
8	A	1517	1517	4.94
9	A	1451	1451	2.93
10	A	1317	1317	60.64
11	A	1228	1228	0.36
12	A	1194	1194	4.91
13	A	1182	1182	58.45
14	A	1172	1172	0.99
15	A	1119	1119	4.25
16	A	1093	1093	28.91
17	A	963	963	11.21
18	A	917	917	22.73
19	A	841	841	9.99
20	A	816	816	3.50
21	A	763	763	5.74
22	A	396	396	25.38
23	A	375	375	12.80
24	A	342	342	121.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	-0.003	0.499
C2	0.909	-0.757	-0.137
C3	0.906	0.777	-0.149
O4	-1.480	-0.111	-0.200
H5	-0.282	0.005	1.583
H6	1.613	-1.273	0.501
H7	0.663	-1.242	-1.071
H8	1.603	1.300	0.492
H9	0.683	1.247	-1.097
H10	-1.956	0.754	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5063	1.5223	1.4364	1.0856	2.2374	2.1900	2.2482	2.2227	1.9757
C2	1.5063		1.5345	2.4748	2.2265	1.0807	1.0807	2.2603	2.2335	3.2388
C3	1.5223	1.5345		2.5462	2.2379	2.2632	2.2332	1.0812	1.0813	2.8623
O4	1.4364	2.4748	2.5462		2.1512	3.3767	2.5741	3.4600	2.7064	0.9934
H5	1.0856	2.2265	2.2379	2.1512		2.5285	3.0808	2.5342	3.1076	2.4845
H6	2.2374	1.0807	2.2632	3.3767	2.5285		1.8369	2.5722	3.1246	4.1465
H7	2.1900	1.0807	2.2332	2.5741	3.0808	1.8369		3.1285	2.4890	3.4344
H8	2.2482	2.2603	1.0812	3.4600	2.5342	2.5722	3.1285		1.8366	3.6474
H9	2.2227	2.2335	1.0813	2.7064	3.1076	3.1246	2.4890	1.8366		2.8656
H10	1.9757	3.2388	2.8623	0.9934	2.4845	4.1465	3.4344	3.6474	2.8656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.073	C1	C2	H6	118.814
C1	C2	H7	114.680	C1	C3	C2	59.044
C1	C3	H8	118.449	C1	C3	H9	116.210
C1	O4	H10	107.393	C2	C1	C3	60.883
C2	C1	O4	114.474	C2	C1	H5	117.499
C2	C3	H8	118.536	C2	C3	H9	116.190
C3	C1	O4	118.739	C3	C1	H5	117.239
C3	C2	H6	118.833	C3	C2	H7	116.201
O4	C1	H5	116.384	H6	C2	H7	116.394
H8	C3	H9	116.266

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP=FULLultrafine/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 C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)