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	hartrees
Energy at 0K	-191.993228
Energy at 298.15K	-192.000421
HF Energy	-191.993228
Nuclear repulsion energy	125.544157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4166	3776	57.31
2	A	3367	3052	23.91
3	A	3348	3035	3.68
4	A	3282	2975	12.42
5	A	3271	2964	28.44
6	A	3267	2961	25.24
7	A	1642	1488	18.19
8	A	1578	1431	1.55
9	A	1536	1392	13.63
10	A	1406	1274	108.91
11	A	1332	1208	57.29
12	A	1297	1175	0.36
13	A	1283	1163	2.63
14	A	1241	1124	1.63
15	A	1189	1078	0.37
16	A	1163	1054	12.95
17	A	1066	966	13.50
18	A	1013	918	28.79
19	A	897	813	12.06
20	A	876	794	10.59
21	A	812	736	6.20
22	A	444	402	16.10
23	A	437	396	7.37
24	A	326	296	123.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.022	0.474
C2	0.909	-0.733	-0.137
C3	0.871	0.773	-0.131
O4	-1.445	-0.110	-0.195
H5	-0.322	-0.032	1.546
H6	1.608	-1.232	0.507
H7	0.723	-1.224	-1.071
H8	1.540	1.303	0.520
H9	0.668	1.261	-1.065
H10	-1.915	0.699	-0.111

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4806	1.4913	1.3838	1.0754	2.2064	2.1804	2.2168	2.1979	1.9177
C2	1.4806		1.5061	2.4361	2.1992	1.0728	1.0723	2.2299	2.2122	3.1669
C3	1.4913	1.5061		2.4795	2.2093	2.2290	2.2125	1.0733	1.0731	2.7875
O4	1.3838	2.4361	2.4795		2.0732	3.3272	2.5902	3.3793	2.6650	0.9395
H5	1.0754	2.1992	2.2093	2.0732		2.4982	3.0595	2.5103	3.0768	2.4117
H6	2.2064	1.0728	2.2290	3.3272	2.4982		1.8092	2.5356	3.0929	4.0645
H7	2.1804	1.0723	2.2125	2.5902	3.0595	1.8092		3.0961	2.4857	3.4032
H8	2.2168	2.2299	1.0733	3.3793	2.5103	2.5356	3.0961		1.8091	3.5642
H9	2.1979	2.2122	1.0731	2.6650	3.0768	3.0929	2.4857	1.8091		2.8113
H10	1.9177	3.1669	2.7875	0.9395	2.4117	4.0645	3.4032	3.5642	2.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.901	C1	C2	H6	118.696
C1	C2	H7	116.411	C1	C3	C2	59.199
C1	C3	H8	118.727	C1	C3	H9	117.048
C1	O4	H10	109.783	C2	C1	C3	60.901
C2	C1	O4	116.488	C2	C1	H5	117.856
C2	C3	H8	118.688	C2	C3	H9	117.121
C3	C1	O4	119.131	C3	C1	H5	117.898
C3	C2	H6	118.646	C3	C2	H7	117.210
O4	C1	H5	114.347	H6	C2	H7	115.005
H8	C3	H9	114.889

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/Def2TZVPP

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	0.195
2	C	-0.084
3	C	-0.125
4	O	-0.417
5	H	0.034
6	H	0.043
7	H	0.053
8	H	0.039
9	H	0.056
10	H	0.206

	x	y	z	Total
	0.425	1.343	0.728	1.585
CHELPG
AIM
ESP

	x	y	z
x	5.708	-0.131	-0.033
y	-0.131	5.558	-0.002
z	-0.033	-0.002	4.971

<r²>	72.363
(<r²>)^1/2	8.507

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)