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	hartrees
Energy at 0K	-192.912906
Energy at 298.15K
HF Energy	-192.710305
Nuclear repulsion energy	124.381795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3840	3840	16.90
2	A	3289	3289	13.21
3	A	3274	3274	3.30
4	A	3194	3194	6.40
5	A	3183	3183	13.33
6	A	3156	3156	39.32
7	A	1545	1545	13.23
8	A	1490	1490	1.19
9	A	1447	1447	10.70
10	A	1316	1316	73.21
11	A	1252	1252	58.06
12	A	1219	1219	0.26
13	A	1212	1212	7.34
14	A	1152	1152	0.61
15	A	1092	1092	3.12
16	A	1077	1077	18.79
17	A	1008	1008	11.23
18	A	948	948	23.85
19	A	852	852	9.49
20	A	832	832	5.40
21	A	771	771	3.14
22	A	412	412	21.48
23	A	408	408	10.72
24	A	332	332	108.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.014	0.482
C2	0.909	-0.741	-0.136
C3	0.886	0.772	-0.137
O4	-1.460	-0.112	-0.198
H5	-0.311	-0.018	1.567
H6	1.609	-1.253	0.511
H7	0.703	-1.237	-1.075
H8	1.569	1.306	0.511
H9	0.676	1.257	-1.082
H10	-1.911	0.735	-0.102

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4914	1.5040	1.4026	1.0877	2.2239	2.1924	2.2373	2.2124	1.9244
C2	1.4914		1.5139	2.4513	2.2162	1.0821	1.0817	2.2463	2.2235	3.1829
C3	1.5040	1.5139		2.5071	2.2275	2.2462	2.2246	1.0827	1.0824	2.7969
O4	1.4026	2.4513	2.5071		2.1084	3.3500	2.5912	3.4187	2.6861	0.9646
H5	1.0877	2.2162	2.2275	2.1084		2.5157	3.0820	2.5307	3.1013	2.4316
H6	2.2239	1.0821	2.2462	3.3500	2.5157		1.8266	2.5591	3.1160	4.0889
H7	2.1924	1.0817	2.2246	2.5912	3.0820	1.8266		3.1192	2.4941	3.4163
H8	2.2373	2.2463	1.0827	3.4187	2.5307	2.5591	3.1192		1.8268	3.5795
H9	2.2124	2.2235	1.0824	2.6861	3.1013	3.1160	2.4941	1.8268		2.8149
H10	1.9244	3.1829	2.7969	0.9646	2.4316	4.0889	3.4163	3.5795	2.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.053	C1	C2	H6	118.714
C1	C2	H7	115.962	C1	C3	C2	59.233
C1	C3	H8	118.850	C1	C3	H9	116.672
C1	O4	H10	107.320	C2	C1	C3	60.714
C2	C1	O4	115.747	C2	C1	H5	117.625
C2	C3	H8	118.857	C2	C3	H9	116.858
C3	C1	O4	119.175	C3	C1	H5	117.623
C3	C2	H6	118.891	C3	C2	H7	117.008
O4	C1	H5	115.122	H6	C2	H7	115.174
H8	C3	H9	115.084

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)