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	hartrees
Energy at 0K	-35.516187
Energy at 298.15K	-35.523343
HF Energy	-35.516187
Nuclear repulsion energy	69.380411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4070	3668	26.18
2	A	3450	3109	53.95
3	A	3425	3088	13.66
4	A	3365	3033	41.05
5	A	3342	3012	19.36
6	A	3327	2999	34.77
7	A	1646	1484	13.85
8	A	1587	1431	4.52
9	A	1517	1368	12.11
10	A	1370	1234	74.95
11	A	1321	1191	88.54
12	A	1294	1167	0.68
13	A	1273	1148	8.02
14	A	1248	1125	2.07
15	A	1214	1094	2.20
16	A	1193	1075	15.90
17	A	1053	949	15.05
18	A	1020	919	38.28
19	A	908	818	19.47
20	A	869	783	14.36
21	A	820	739	13.79
22	A	426	384	20.34
23	A	422	380	11.51
24	A	330	297	209.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	-0.015	0.497
C2	0.918	-0.754	-0.140
C3	0.900	0.785	-0.138
O4	-1.471	-0.104	-0.204
H5	-0.337	-0.025	1.571
H6	1.622	-1.264	0.497
H7	0.703	-1.248	-1.073
H8	1.586	1.309	0.510
H9	0.690	1.279	-1.074
H10	-2.007	0.683	-0.109

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5087	1.5256	1.4254	1.0785	2.2358	2.2049	2.2500	2.2354	2.0003
C2	1.5087		1.5389	2.4761	2.2439	1.0782	1.0775	2.2636	2.2486	3.2584
C3	1.5256	1.5389		2.5323	2.2595	2.2637	2.2469	1.0793	1.0787	2.9082
O4	1.4254	2.4761	2.5323		2.1076	3.3764	2.6052	3.4420	2.7089	0.9567
H5	1.0785	2.2439	2.2595	2.1076		2.5547	3.0934	2.5696	3.1224	2.4717
H6	2.2358	1.0782	2.2637	3.3764	2.5547		1.8195	2.5737	3.1313	4.1620
H7	2.2049	1.0775	2.2469	2.6052	3.0934	1.8195		3.1347	2.5279	3.4639
H8	2.2500	2.2636	1.0793	3.4420	2.5696	2.5737	3.1347		1.8192	3.6987
H9	2.2354	2.2486	1.0787	2.7089	3.1224	3.1313	2.5279	1.8192		2.9257
H10	2.0003	3.2584	2.9082	0.9567	2.4717	4.1620	3.4639	3.6987	2.9257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.070	C1	C2	H6	118.661
C1	C2	H7	115.987	C1	C3	C2	58.984
C1	C3	H8	118.481	C1	C3	H9	117.231
C1	O4	H10	112.732	C2	C1	C3	60.946
C2	C1	O4	115.076	C2	C1	H5	119.361
C2	C3	H8	118.619	C2	C3	H9	117.331
C3	C1	O4	118.170	C3	C1	H5	119.389
C3	C2	H6	118.707	C3	C2	H7	117.268
O4	C1	H5	113.925	H6	C2	H7	115.139
H8	C3	H9	114.921

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/CEP-31G

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	0.028
2	C	-0.267
3	C	-0.338
4	O	-0.569
5	H	0.176
6	H	0.149
7	H	0.159
8	H	0.138
9	H	0.157
10	H	0.366

	x	y	z	Total
	0.729	1.699	1.087	2.144
CHELPG
AIM
ESP

	x	y	z
x	5.114	-0.231	-0.112
y	-0.231	5.024	0.030
z	-0.112	0.030	4.066

<r²>	63.963
(<r²>)^1/2	7.998

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)