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	hartrees
Energy at 0K	-192.937817
Energy at 298.15K	-192.944821
HF Energy	-192.937817
Nuclear repulsion energy	124.750797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3720	30.13
2	A	3252	3120	12.46
3	A	3236	3105	2.70
4	A	3157	3029	5.71
5	A	3147	3019	13.85
6	A	3120	2993	37.25
7	A	1514	1453	20.98
8	A	1444	1386	4.65
9	A	1419	1362	3.75
10	A	1309	1255	85.46
11	A	1251	1200	51.82
12	A	1203	1154	8.18
13	A	1194	1146	0.19
14	A	1123	1077	0.99
15	A	1064	1021	4.02
16	A	1052	1009	24.72
17	A	1003	963	10.56
18	A	948	909	26.36
19	A	847	813	11.87
20	A	825	791	6.45
21	A	767	735	3.07
22	A	412	395	17.44
23	A	408	392	10.60
24	A	328	315	111.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.014	0.480
C2	0.905	-0.739	-0.135
C3	0.883	0.770	-0.136
O4	-1.452	-0.111	-0.198
H5	-0.312	-0.019	1.567
H6	1.607	-1.253	0.512
H7	0.696	-1.232	-1.077
H8	1.567	1.304	0.514
H9	0.672	1.254	-1.084
H10	-1.906	0.729	-0.098

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4873	1.5005	1.3936	1.0898	2.2226	2.1863	2.2357	2.2090	1.9145
C2	1.4873		1.5094	2.4409	2.2131	1.0837	1.0836	2.2432	2.2191	3.1716
C3	1.5005	1.5094		2.4963	2.2253	2.2442	2.2202	1.0844	1.0842	2.7887
O4	1.3936	2.4409	2.4963		2.1031	3.3416	2.5779	3.4095	2.6753	0.9595
H5	1.0898	2.2131	2.2253	2.1031		2.5133	3.0786	2.5282	3.1007	2.4230
H6	2.2226	1.0837	2.2442	3.3416	2.5133		1.8315	2.5567	3.1146	4.0787
H7	2.1863	1.0836	2.2202	2.5779	3.0786	1.8315		3.1178	2.4858	3.4019
H8	2.2357	2.2432	1.0844	3.4095	2.5282	2.5567	3.1178		1.8320	3.5726
H9	2.2090	2.2191	1.0842	2.6753	3.1007	3.1146	2.4858	1.8320		2.8088
H10	1.9145	3.1716	2.7887	0.9595	2.4230	4.0787	3.4019	3.5726	2.8088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.090	C1	C2	H6	118.812
C1	C2	H7	115.619	C1	C3	C2	59.226
C1	C3	H8	118.865	C1	C3	H9	116.517
C1	O4	H10	107.463	C2	C1	C3	60.684
C2	C1	O4	115.798	C2	C1	H5	117.527
C2	C3	H8	118.816	C2	C3	H9	116.696
C3	C1	O4	119.167	C3	C1	H5	117.554
C3	C2	H6	118.956	C3	C2	H7	116.842
O4	C1	H5	115.209	H6	C2	H7	115.366
H8	C3	H9	115.293

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBE1PBE/6-311G**

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	-0.001
2	C	-0.270
3	C	-0.283
4	O	-0.376
5	H	0.124
6	H	0.140
7	H	0.153
8	H	0.133
9	H	0.142
10	H	0.238

	x	y	z	Total
	0.305	1.330	0.683	1.526
CHELPG
AIM
ESP

	x	y	z
x	5.612	-0.186	0.045
y	-0.186	5.354	0.002
z	0.045	0.002	4.918

<r²>	72.791
(<r²>)^1/2	8.532

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)