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	hartrees
Energy at 0K	-189.497648
Energy at 298.15K	-189.504735
HF Energy	-189.497648
Nuclear repulsion energy	123.491168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4218	3444	20.57
2	A	3815	3115	1.19
3	A	3810	3111	0.19
4	A	3666	2993	3.21
5	A	3650	2980	7.17
6	A	3649	2979	4.76
7	A	1828	1492	5.85
8	A	1736	1417	0.09
9	A	1721	1405	3.51
10	A	1611	1316	45.87
11	A	1442	1178	0.25
12	A	1418	1158	0.73
13	A	1397	1141	0.83
14	A	1385	1131	3.46
15	A	1370	1118	0.59
16	A	1346	1099	1.46
17	A	1193	974	0.61
18	A	1154	943	13.07
19	A	996	813	3.60
20	A	983	803	0.63
21	A	914	746	0.06
22	A	445	363	9.34
23	A	430	351	4.78
24	A	326	266	83.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	-0.008	0.470
C2	0.931	-0.737	-0.118
C3	0.895	0.768	-0.145
O4	-1.484	-0.119	-0.215
H5	-0.319	0.011	1.558
H6	1.617	-1.231	0.555
H7	0.774	-1.255	-1.053
H8	1.557	1.317	0.510
H9	0.719	1.244	-1.099
H10	-1.958	0.723	0.006

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5038	1.5105	1.4194	1.0905	2.2306	2.2171	2.2373	2.2272	1.9185
C2	1.5038		1.5058	2.4941	2.2201	1.0807	1.0809	2.2370	2.2206	3.2390
C3	1.5105	1.5058		2.5398	2.2244	2.2381	2.2209	1.0807	1.0808	2.8574
O4	1.4194	2.4941	2.5398		2.1253	3.3833	2.6624	3.4399	2.7372	0.9914
H5	1.0905	2.2201	2.2244	2.1253		2.5099	3.1008	2.5148	3.1081	2.3665
H6	2.2306	1.0807	2.2381	3.3833	2.5099		1.8160	2.5493	3.1093	4.1113
H7	2.2171	1.0809	2.2209	2.6624	3.1008	1.8160		3.1098	2.4996	3.5350
H8	2.2373	2.2370	1.0807	3.4399	2.5148	2.5493	3.1098		1.8156	3.6000
H9	2.2272	2.2206	1.0808	2.7372	3.1081	3.1093	2.4996	1.8156		2.9430
H10	1.9185	3.2390	2.8574	0.9914	2.3665	4.1113	3.5350	3.6000	2.9430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.252	C1	C2	H6	118.409
C1	C2	H7	117.200	C1	C3	C2	59.808
C1	C3	H8	118.465	C1	C3	H9	117.563
C1	O4	H10	104.046	C2	C1	C3	59.939
C2	C1	O4	117.104	C2	C1	H5	116.797
C2	C3	H8	118.825	C2	C3	H9	117.362
C3	C1	O4	120.164	C3	C1	H5	116.643
C3	C2	H6	118.915	C3	C2	H7	117.379
O4	C1	H5	115.097	H6	C2	H7	114.306
H8	C3	H9	114.286

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/STO-3G

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	0.042
2	C	-0.140
3	C	-0.150
4	O	-0.280
5	H	0.059
6	H	0.071
7	H	0.079
8	H	0.068
9	H	0.072
10	H	0.179

	x	y	z	Total
	0.372	1.146	0.764	1.426
CHELPG
AIM
ESP

	x	y	z
x	2.997	-0.319	0.074
y	-0.319	2.565	0.055
z	0.074	0.055	2.310

<r²>	73.523
(<r²>)^1/2	8.575

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)