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	hartrees
Energy at 0K	-193.062786
Energy at 298.15K	-193.069648
HF Energy	-193.062786
Nuclear repulsion energy	123.997085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3697	18.25
2	A	3170	3129	18.02
3	A	3154	3113	2.56
4	A	3080	3040	9.73
5	A	3071	3032	18.81
6	A	3041	3002	37.25
7	A	1464	1445	12.52
8	A	1426	1407	1.79
9	A	1376	1359	9.89
10	A	1271	1255	52.03
11	A	1198	1183	61.47
12	A	1169	1154	0.26
13	A	1155	1140	15.91
14	A	1097	1082	1.55
15	A	1039	1025	1.90
16	A	1014	1001	24.89
17	A	961	949	16.05
18	A	913	901	19.82
19	A	819	809	11.63
20	A	803	792	6.92
21	A	740	731	4.48
22	A	404	399	7.26
23	A	396	391	11.68
24	A	287	283	102.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.014	0.480
C2	0.913	-0.742	-0.136
C3	0.890	0.774	-0.136
O4	-1.469	-0.112	-0.197
H5	-0.316	-0.021	1.567
H6	1.610	-1.258	0.517
H7	0.717	-1.237	-1.081
H8	1.569	1.310	0.519
H9	0.685	1.260	-1.084
H10	-1.924	0.734	-0.107

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4925	1.5052	1.4102	1.0907	2.2253	2.2000	2.2386	2.2176	1.9384
C2	1.4925		1.5164	2.4642	2.2207	1.0851	1.0848	2.2527	2.2276	3.1986
C3	1.5052	1.5164		2.5200	2.2333	2.2521	2.2288	1.0858	1.0853	2.8148
O4	1.4102	2.4642	2.5200		2.1094	3.3612	2.6125	3.4298	2.7037	0.9651
H5	1.0907	2.2207	2.2333	2.1094		2.5182	3.0922	2.5348	3.1107	2.4414
H6	2.2253	1.0851	2.2521	3.3612	2.5182		1.8305	2.5688	3.1241	4.1044
H7	2.2000	1.0848	2.2288	2.6125	3.0922	1.8305		3.1271	2.4979	3.4370
H8	2.2386	2.2527	1.0858	3.4298	2.5348	2.5688	3.1271		1.8317	3.5958
H9	2.2176	2.2276	1.0853	2.7037	3.1107	3.1241	2.4979	1.8317		2.8362
H10	1.9384	3.1986	2.8148	0.9651	2.4414	4.1044	3.4370	3.5958	2.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.081	C1	C2	H6	118.589
C1	C2	H7	116.326	C1	C3	C2	59.221
C1	C3	H8	118.839	C1	C3	H9	116.851
C1	O4	H10	108.816	C2	C1	C3	60.698
C2	C1	O4	116.134	C2	C1	H5	117.587
C2	C3	H8	118.801	C2	C3	H9	117.089
C3	C1	O4	119.677	C3	C1	H5	117.673
C3	C2	H6	118.803	C3	C2	H7	117.230
O4	C1	H5	114.570	H6	C2	H7	114.941
H8	C3	H9	114.883

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.393
2	C	-0.255
3	C	-0.366
4	O	-0.603
5	H	0.104
6	H	0.125
7	H	0.128
8	H	0.125
9	H	0.135
10	H	0.215

	x	y	z	Total
	0.494	1.261	0.655	1.505
CHELPG
AIM
ESP

	x	y	z
x	6.765	-0.106	-0.074
y	-0.106	6.297	-0.018
z	-0.074	-0.018	5.741

<r²>	73.917
(<r²>)^1/2	8.597

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)