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	hartrees
Energy at 0K	-35.525478
Energy at 298.15K	-35.532668
HF Energy	-35.525478
Nuclear repulsion energy	69.571183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4025	3673	22.55
2	A	3393	3096	35.17
3	A	3373	3077	7.72
4	A	3308	3018	32.96
5	A	3281	2994	11.81
6	A	3267	2981	25.43
7	A	1630	1487	13.28
8	A	1584	1445	3.50
9	A	1522	1389	12.47
10	A	1371	1251	69.88
11	A	1318	1203	89.35
12	A	1303	1189	0.99
13	A	1273	1161	4.22
14	A	1246	1137	3.19
15	A	1213	1107	1.52
16	A	1190	1086	14.86
17	A	1051	959	14.73
18	A	1022	932	40.29
19	A	911	832	19.79
20	A	874	798	12.49
21	A	825	752	15.41
22	A	430	393	21.43
23	A	426	389	9.21
24	A	318	290	197.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	-0.017	0.492
C2	0.919	-0.749	-0.141
C3	0.896	0.783	-0.137
O4	-1.471	-0.105	-0.201
H5	-0.330	-0.026	1.564
H6	1.619	-1.255	0.500
H7	0.714	-1.243	-1.072
H8	1.575	1.308	0.511
H9	0.688	1.274	-1.070
H10	-1.995	0.686	-0.113

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5032	1.5189	1.4236	1.0762	2.2256	2.2007	2.2407	2.2258	1.9934
C2	1.5032		1.5329	2.4763	2.2333	1.0747	1.0739	2.2557	2.2385	3.2488
C3	1.5189	1.5329		2.5293	2.2470	2.2543	2.2390	1.0754	1.0751	2.8930
O4	1.4236	2.4763	2.5293		2.1040	3.3705	2.6130	3.4332	2.7053	0.9531
H5	1.0762	2.2333	2.2470	2.1040		2.5372	3.0853	2.5528	3.1089	2.4689
H6	2.2256	1.0747	2.2543	3.3705	2.5372		1.8136	2.5632	3.1186	4.1477
H7	2.2007	1.0739	2.2390	2.6130	3.0853	1.8136		3.1232	2.5166	3.4613
H8	2.2407	2.2557	1.0754	3.4332	2.5528	2.5632	3.1232		1.8138	3.6779
H9	2.2258	2.2385	1.0751	2.7053	3.1089	3.1186	2.5166	1.8138		2.9088
H10	1.9934	3.2488	2.8930	0.9531	2.4689	4.1477	3.4613	3.6779	2.9088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.028	C1	C2	H6	118.439
C1	C2	H7	116.295	C1	C3	C2	59.017
C1	C3	H8	118.465	C1	C3	H9	117.168
C1	O4	H10	112.498	C2	C1	C3	60.954
C2	C1	O4	115.546	C2	C1	H5	119.027
C2	C3	H8	118.673	C2	C3	H9	117.178
C3	C1	O4	118.494	C3	C1	H5	118.971
C3	C2	H6	118.593	C3	C2	H7	117.304
O4	C1	H5	113.910	H6	C2	H7	115.153
H8	C3	H9	115.016

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/CEP-121G

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	0.111
2	C	-0.315
3	C	-0.359
4	O	-0.588
5	H	0.143
6	H	0.155
7	H	0.173
8	H	0.151
9	H	0.163
10	H	0.366

	x	y	z	Total
	0.684	1.675	1.023	2.078
CHELPG
AIM
ESP

	x	y	z
x	5.360	-0.206	0.071
y	-0.206	5.167	0.009
z	0.071	0.009	4.612

<r²>	63.755
(<r²>)^1/2	7.985

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)