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	hartrees
Energy at 0K	-190.563551
Energy at 298.15K	-190.570228
HF Energy	-190.563551
Nuclear repulsion energy	120.694641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3545	3545	37.01
2	A	3478	3478	0.13
3	A	3470	3470	0.25
4	A	3324	3324	1.62
5	A	3314	3314	1.13
6	A	3246	3246	13.56
7	A	1605	1605	5.99
8	A	1556	1556	0.15
9	A	1533	1533	3.08
10	A	1393	1393	51.81
11	A	1266	1266	2.80
12	A	1258	1258	2.51
13	A	1213	1213	1.25
14	A	1180	1180	6.70
15	A	1166	1166	0.65
16	A	1143	1143	2.02
17	A	1032	1032	2.52
18	A	978	978	9.15
19	A	865	865	3.05
20	A	850	850	1.77
21	A	815	815	0.44
22	A	393	393	6.13
23	A	376	376	5.52
24	A	318	318	68.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.255	0.016	0.477
C2	0.930	-0.765	-0.103
C3	0.942	0.770	-0.161
O4	-1.520	-0.115	-0.230
H5	-0.313	0.065	1.590
H6	1.610	-1.276	0.596
H7	0.760	-1.299	-1.051
H8	1.628	1.320	0.501
H9	0.782	1.232	-1.148
H10	-2.006	0.748	0.081

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5336	1.5520	1.4548	1.1155	2.2722	2.2573	2.2908	2.2791	1.9380
C2	1.5336		1.5363	2.5386	2.2586	1.1010	1.1013	2.2800	2.2585	3.3080
C3	1.5520	1.5363		2.6168	2.2666	2.2823	2.2599	1.1012	1.1009	2.9572
O4	1.4548	2.5386	2.6168		2.1910	3.4393	2.6978	3.5360	2.8206	1.0374
H5	1.1155	2.2586	2.2666	2.1910		2.5464	3.1603	2.5547	3.1710	2.3679
H6	2.2722	1.1010	2.2823	3.4393	2.5464		1.8535	2.5980	3.1652	4.1755
H7	2.2573	1.1013	2.2599	2.6978	3.1603	1.8535		3.1659	2.5330	3.6225
H8	2.2908	2.2800	1.1012	3.5360	2.5547	2.5980	3.1659		1.8557	3.7023
H9	2.2791	2.2585	1.1009	2.8206	3.1710	3.1652	2.5330	1.8557		3.0847
H10	1.9380	3.3080	2.9572	1.0374	2.3679	4.1755	3.6225	3.7023	3.0847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.734	C1	C2	H6	118.255
C1	C2	H7	116.942	C1	C3	C2	59.547
C1	C3	H8	118.415	C1	C3	H9	117.424
C1	O4	H10	100.759	C2	C1	C3	59.719
C2	C1	O4	116.284	C2	C1	H5	116.090
C2	C3	H8	118.716	C2	C3	H9	116.864
C3	C1	O4	120.954	C3	C1	H5	115.386
C3	C2	H6	118.931	C3	C2	H7	116.955
O4	C1	H5	116.335	H6	C2	H7	114.623
H8	C3	H9	114.863

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/STO-3G

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	-0.162
3	C	-0.170
4	O	-0.227
5	H	0.067
6	H	0.080
7	H	0.086
8	H	0.076
9	H	0.080
10	H	0.172

	x	y	z	Total
	0.120	0.971	0.709	1.208
CHELPG
AIM
ESP

	x	y	z
x	3.359	-0.274	0.084
y	-0.274	2.679	0.102
z	0.084	0.102	2.454

<r²>	76.034
(<r²>)^1/2	8.720

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)