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	hartrees
Energy at 0K	-193.003329
Energy at 298.15K	-193.010196
HF Energy	-193.003329
Nuclear repulsion energy	123.886701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3728	11.82
2	A	3186	3186	19.02
3	A	3168	3168	3.18
4	A	3091	3091	10.69
5	A	3081	3081	19.58
6	A	3032	3032	50.19
7	A	1466	1466	12.20
8	A	1422	1422	0.81
9	A	1390	1390	6.38
10	A	1283	1283	66.40
11	A	1203	1203	52.34
12	A	1170	1170	0.11
13	A	1163	1163	12.10
14	A	1098	1098	0.78
15	A	1037	1037	3.11
16	A	1019	1019	19.46
17	A	970	970	10.69
18	A	913	913	17.88
19	A	821	821	10.56
20	A	801	801	4.17
21	A	742	742	2.65
22	A	398	398	8.83
23	A	392	392	14.28
24	A	304	304	92.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.241	-0.013	0.480
C2	0.912	-0.744	-0.135
C3	0.892	0.774	-0.137
O4	-1.468	-0.112	-0.198
H5	-0.314	-0.015	1.573
H6	1.611	-1.260	0.521
H7	0.715	-1.242	-1.081
H8	1.575	1.311	0.517
H9	0.686	1.260	-1.089
H10	-1.912	0.741	-0.103

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4980	1.5106	1.4053	1.0949	2.2330	2.2055	2.2478	2.2228	1.9236
C2	1.4980		1.5181	2.4633	2.2251	1.0878	1.0875	2.2558	2.2312	3.1911
C3	1.5106	1.5181		2.5206	2.2359	2.2553	2.2328	1.0885	1.0881	2.8038
O4	1.4053	2.4633	2.5206		2.1158	3.3631	2.6118	3.4347	2.7046	0.9664
H5	1.0949	2.2251	2.2359	2.1158		2.5220	3.0998	2.5381	3.1161	2.4359
H6	2.2330	1.0878	2.2553	3.3631	2.5220		1.8353	2.5713	3.1297	4.0989
H7	2.2055	1.0875	2.2328	2.6118	3.0998	1.8353		3.1326	2.5022	3.4338
H8	2.2478	2.2558	1.0885	3.4347	2.5381	2.5713	3.1326		1.8365	3.5877
H9	2.2228	2.2312	1.0881	2.7046	3.1161	3.1297	2.5022	1.8365		2.8270
H10	1.9236	3.1911	2.8038	0.9664	2.4359	4.0989	3.4338	3.5877	2.8270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.108	C1	C2	H6	118.584
C1	C2	H7	116.192	C1	C3	C2	59.285
C1	C3	H8	118.827	C1	C3	H9	116.660
C1	O4	H10	106.936	C2	C1	C3	60.607
C2	C1	O4	116.056	C2	C1	H5	117.375
C2	C3	H8	118.942	C2	C3	H9	116.798
C3	C1	O4	119.598	C3	C1	H5	117.322
C3	C2	H6	118.943	C3	C2	H7	116.987
O4	C1	H5	115.049	H6	C2	H7	115.076
H8	C3	H9	115.070

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/6-31G(2df,p)

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	0.126
2	C	-0.262
3	C	-0.292
4	O	-0.421
5	H	0.084
6	H	0.117
7	H	0.129
8	H	0.114
9	H	0.119
10	H	0.285

	x	y	z	Total
	0.285	1.217	0.551	1.366
CHELPG
AIM
ESP

	x	y	z
x	5.673	-0.196	0.088
y	-0.196	5.298	-0.004
z	0.088	-0.004	4.906

<r²>	73.465
(<r²>)^1/2	8.571

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)