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	hartrees
Energy at 0K	-193.149854
Energy at 298.15K	-193.156826
HF Energy	-193.149854
Nuclear repulsion energy	124.158563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3638	8.54
2	A	3222	3113	24.03
3	A	3204	3096	4.24
4	A	3132	3027	10.42
5	A	3121	3016	21.35
6	A	3094	2990	47.60
7	A	1516	1465	13.78
8	A	1464	1415	3.34
9	A	1427	1379	3.47
10	A	1311	1266	91.63
11	A	1229	1188	55.40
12	A	1203	1162	0.32
13	A	1191	1151	6.63
14	A	1123	1085	0.87
15	A	1065	1029	2.96
16	A	1043	1008	25.64
17	A	985	952	14.17
18	A	931	899	24.05
19	A	839	810	9.99
20	A	818	790	6.36
21	A	762	736	4.84
22	A	410	396	20.20
23	A	405	391	15.65
24	A	332	321	121.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.011	0.481
C2	0.908	-0.745	-0.132
C3	0.892	0.773	-0.138
O4	-1.461	-0.109	-0.202
H5	-0.320	-0.011	1.567
H6	1.605	-1.261	0.517
H7	0.702	-1.243	-1.072
H8	1.578	1.307	0.511
H9	0.688	1.256	-1.087
H10	-1.939	0.720	-0.081

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4921	1.5080	1.4036	1.0897	2.2274	2.1938	2.2435	2.2185	1.9352
C2	1.4921		1.5175	2.4531	2.2212	1.0840	1.0835	2.2519	2.2281	3.2021
C3	1.5080	1.5175		2.5132	2.2344	2.2527	2.2294	1.0847	1.0842	2.8327
O4	1.4036	2.4531	2.5132		2.1070	3.3532	2.5925	3.4266	2.6953	0.9644
H5	1.0897	2.2212	2.2344	2.1070		2.5241	3.0869	2.5404	3.1094	2.4236
H6	2.2274	1.0840	2.2527	3.3532	2.5241		1.8284	2.5680	3.1229	4.1044
H7	2.1938	1.0835	2.2294	2.5925	3.0869	1.8284		3.1262	2.4992	3.4368
H8	2.2435	2.2519	1.0847	3.4266	2.5404	2.5680	3.1262		1.8295	3.6146
H9	2.2185	2.2281	1.0842	2.6953	3.1094	3.1229	2.4992	1.8295		2.8645
H10	1.9352	3.2021	2.8327	0.9644	2.4236	4.1044	3.4368	3.6146	2.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.133	C1	C2	H6	118.826
C1	C2	H7	115.897	C1	C3	C2	59.098
C1	C3	H8	118.924	C1	C3	H9	116.749
C1	O4	H10	108.181	C2	C1	C3	60.769
C2	C1	O4	115.774	C2	C1	H5	117.863
C2	C3	H8	118.910	C2	C3	H9	116.843
C3	C1	O4	119.302	C3	C1	H5	117.768
C3	C2	H6	119.033	C3	C2	H7	117.007
O4	C1	H5	114.775	H6	C2	H7	115.028
H8	C3	H9	115.019

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/6-311G*

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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Number	Element	Mulliken
1	C	-0.002
2	C	-0.434
3	C	-0.449
4	O	-0.551
5	H	0.193
6	H	0.215
7	H	0.226
8	H	0.208
9	H	0.215
10	H	0.379

	x	y	z	Total
	0.294	1.396	0.760	1.616
CHELPG
AIM
ESP

	x	y	z
x	5.629	-0.203	0.057
y	-0.203	5.329	0.008
z	0.057	0.008	4.878

<r²>	73.585
(<r²>)^1/2	8.578

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)