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	hartrees
Energy at 0K	-193.064346
Energy at 298.15K	-193.071352
HF Energy	-193.064346
Nuclear repulsion energy	124.728709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3852	3852	18.93
2	A	3257	3257	9.05
3	A	3241	3241	2.71
4	A	3162	3162	5.40
5	A	3151	3151	10.66
6	A	3140	3140	30.04
7	A	1535	1535	18.48
8	A	1465	1465	4.06
9	A	1435	1435	3.87
10	A	1323	1323	114.65
11	A	1257	1257	36.85
12	A	1212	1212	6.17
13	A	1200	1200	0.19
14	A	1123	1123	0.83
15	A	1061	1061	8.47
16	A	1053	1053	16.94
17	A	1004	1004	10.55
18	A	956	956	27.85
19	A	855	855	11.77
20	A	832	832	6.40
21	A	768	768	3.14
22	A	415	415	26.52
23	A	408	408	6.98
24	A	331	331	128.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.018	0.485
C2	0.906	-0.738	-0.139
C3	0.879	0.773	-0.136
O4	-1.450	-0.111	-0.198
H5	-0.311	-0.026	1.570
H6	1.613	-1.247	0.503
H7	0.688	-1.229	-1.078
H8	1.566	1.304	0.510
H9	0.658	1.256	-1.080
H10	-1.913	0.727	-0.103

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4876	1.5012	1.3965	1.0873	2.2207	2.1829	2.2346	2.2067	1.9273
C2	1.4876		1.5110	2.4393	2.2158	1.0820	1.0821	2.2420	2.2186	3.1779
C3	1.5012	1.5110		2.4921	2.2282	2.2423	2.2205	1.0826	1.0828	2.7929
O4	1.3965	2.4393	2.4921		2.1046	3.3417	2.5686	3.4060	2.6629	0.9623
H5	1.0873	2.2158	2.2282	2.1046		2.5169	3.0755	2.5327	3.0988	2.4354
H6	2.2207	1.0820	2.2423	3.3417	2.5169		1.8318	2.5519	3.1116	4.0868
H7	2.1829	1.0821	2.2205	2.5686	3.0755	1.8318		3.1161	2.4848	3.3978
H8	2.2346	2.2420	1.0826	3.4060	2.5327	2.5519	3.1161		1.8316	3.5795
H9	2.2067	2.2186	1.0828	2.6629	3.0988	3.1116	2.4848	1.8316		2.8011
H10	1.9273	3.1779	2.7929	0.9623	2.4354	4.0868	3.3978	3.5795	2.8011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.077	C1	C2	H6	118.737
C1	C2	H7	115.404	C1	C3	C2	59.188
C1	C3	H8	118.839	C1	C3	H9	116.361
C1	O4	H10	108.178	C2	C1	C3	60.735
C2	C1	O4	115.477	C2	C1	H5	117.915
C2	C3	H8	118.711	C2	C3	H9	116.622
C3	C1	O4	118.594	C3	C1	H5	117.930
C3	C2	H6	118.776	C3	C2	H7	116.838
O4	C1	H5	115.279	H6	C2	H7	115.656
H8	C3	H9	115.524

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: M06-2X/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	-0.030
2	C	-0.479
3	C	-0.494
4	O	-0.571
5	H	0.217
6	H	0.239
7	H	0.252
8	H	0.233
9	H	0.239
10	H	0.394

	x	y	z	Total
	0.358	1.451	0.746	1.670
CHELPG
AIM
ESP

	x	y	z
x	5.487	-0.204	0.047
y	-0.204	5.247	0.004
z	0.047	0.004	4.745

<r²>	72.874
(<r²>)^1/2	8.537

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)