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	hartrees
Energy at 0K	-193.127684
Energy at 298.15K	-193.134626
HF Energy	-193.127684
Nuclear repulsion energy	123.916241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3811	3675	26.37
2	A	3237	3121	13.38
3	A	3221	3106	3.12
4	A	3146	3034	7.89
5	A	3137	3024	15.77
6	A	3120	3008	32.95
7	A	1509	1455	15.22
8	A	1459	1406	2.08
9	A	1408	1357	14.81
10	A	1282	1236	53.05
11	A	1226	1182	76.75
12	A	1193	1150	0.24
13	A	1186	1143	8.12
14	A	1122	1082	1.32
15	A	1069	1031	2.12
16	A	1047	1009	26.86
17	A	983	947	15.26
18	A	929	896	24.95
19	A	835	805	11.21
20	A	815	786	8.10
21	A	754	727	5.33
22	A	409	394	12.34
23	A	402	388	12.48
24	A	318	307	125.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.013	0.482
C2	0.911	-0.745	-0.136
C3	0.891	0.776	-0.137
O4	-1.465	-0.110	-0.199
H5	-0.323	-0.020	1.569
H6	1.611	-1.260	0.515
H7	0.709	-1.242	-1.080
H8	1.574	1.310	0.517
H9	0.687	1.263	-1.086
H10	-1.939	0.726	-0.101

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4943	1.5079	1.4088	1.0901	2.2290	2.2006	2.2421	2.2222	1.9461
C2	1.4943		1.5208	2.4600	2.2256	1.0858	1.0856	2.2562	2.2331	3.2075
C3	1.5079	1.5208		2.5173	2.2395	2.2559	2.2341	1.0865	1.0861	2.8301
O4	1.4088	2.4600	2.5173		2.1068	3.3608	2.6042	3.4300	2.7023	0.9666
H5	1.0901	2.2256	2.2395	2.1068		2.5279	3.0939	2.5445	3.1166	2.4406
H6	2.2290	1.0858	2.2559	3.3608	2.5279		1.8320	2.5711	3.1282	4.1145
H7	2.2006	1.0856	2.2341	2.6042	3.0939	1.8320		3.1322	2.5053	3.4415
H8	2.2421	2.2562	1.0865	3.4300	2.5445	2.5711	3.1322		1.8324	3.6141
H9	2.2222	2.2331	1.0861	2.7023	3.1166	3.1282	2.5053	1.8324		2.8552
H10	1.9461	3.2075	2.8301	0.9666	2.4406	4.1145	3.4415	3.6141	2.8552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.007	C1	C2	H6	118.666
C1	C2	H7	116.178	C1	C3	C2	59.124
C1	C3	H8	118.685	C1	C3	H9	116.957
C1	O4	H10	108.587	C2	C1	C3	60.869
C2	C1	O4	115.823	C2	C1	H5	118.054
C2	C3	H8	118.903	C2	C3	H9	116.895
C3	C1	O4	119.290	C3	C1	H5	118.197
C3	C2	H6	118.924	C3	C2	H7	117.015
O4	C1	H5	114.329	H6	C2	H7	115.068
H8	C3	H9	115.002

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYP/6-31+G**

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	-0.084
2	C	-0.211
3	C	-0.284
4	O	-0.515
5	H	0.134
6	H	0.148
7	H	0.165
8	H	0.145
9	H	0.157
10	H	0.344

	x	y	z	Total
	0.521	1.413	0.782	1.697
CHELPG
AIM
ESP

	x	y	z
x	6.147	-0.096	-0.036
y	-0.096	5.813	-0.015
z	-0.036	-0.015	5.270

<r²>	74.033
(<r²>)^1/2	8.604

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)