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	hartrees
Energy at 0K	-192.884441
Energy at 298.15K	-192.891281
HF Energy	-192.884441
Nuclear repulsion energy	123.391184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3659	18.71
2	A	3178	3142	10.34
3	A	3163	3127	2.73
4	A	3085	3050	7.22
5	A	3076	3041	14.12
6	A	3046	3011	35.33
7	A	1457	1440	17.79
8	A	1405	1389	2.83
9	A	1361	1346	12.03
10	A	1248	1234	44.52
11	A	1197	1183	70.25
12	A	1152	1139	0.28
13	A	1152	1139	14.06
14	A	1076	1064	2.16
15	A	1021	1009	4.60
16	A	1003	992	31.74
17	A	961	950	12.49
18	A	907	897	23.25
19	A	814	805	11.73
20	A	795	785	7.51
21	A	735	726	3.86
22	A	396	391	11.20
23	A	391	387	13.21
24	A	312	308	118.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.010	0.484
C2	0.912	-0.749	-0.135
C3	0.897	0.775	-0.139
O4	-1.471	-0.111	-0.200
H5	-0.321	-0.014	1.580
H6	1.613	-1.271	0.521
H7	0.705	-1.248	-1.085
H8	1.586	1.315	0.518
H9	0.692	1.263	-1.097
H10	-1.938	0.739	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4995	1.5137	1.4141	1.0991	2.2403	2.2096	2.2540	2.2321	1.9464
C2	1.4995		1.5240	2.4671	2.2354	1.0935	1.0935	2.2668	2.2404	3.2144
C3	1.5137	1.5240		2.5291	2.2497	2.2667	2.2415	1.0943	1.0940	2.8353
O4	1.4141	2.4671	2.5291		2.1216	3.3733	2.6092	3.4487	2.7148	0.9751
H5	1.0991	2.2354	2.2497	2.1216		2.5382	3.1106	2.5554	3.1340	2.4480
H6	2.2403	1.0935	2.2667	3.3733	2.5382		1.8457	2.5864	3.1445	4.1271
H7	2.2096	1.0935	2.2415	2.6092	3.1106	1.8457		3.1485	2.5104	3.4504
H8	2.2540	2.2668	1.0943	3.4487	2.5554	2.5864	3.1485		1.8463	3.6230
H9	2.2321	2.2404	1.0940	2.7148	3.1340	3.1445	2.5104	1.8463		2.8621
H10	1.9464	3.2144	2.8353	0.9751	2.4480	4.1271	3.4504	3.6230	2.8621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.078	C1	C2	H6	118.695
C1	C2	H7	116.006	C1	C3	C2	59.160
C1	C3	H8	118.716	C1	C3	H9	116.816
C1	O4	H10	107.682	C2	C1	C3	60.762
C2	C1	O4	115.687	C2	C1	H5	117.856
C2	C3	H8	119.025	C2	C3	H9	116.739
C3	C1	O4	119.455	C3	C1	H5	117.991
C3	C2	H6	119.079	C3	C2	H7	116.868
O4	C1	H5	114.584	H6	C2	H7	115.119
H8	C3	H9	115.075

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/6-31+G**

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	-0.155
2	C	-0.249
3	C	-0.327
4	O	-0.471
5	H	0.156
6	H	0.170
7	H	0.187
8	H	0.167
9	H	0.180
10	H	0.342

	x	y	z	Total
	0.476	1.381	0.741	1.638
CHELPG
AIM
ESP

	x	y	z
x	6.442	-0.086	-0.046
y	-0.086	6.036	-0.017
z	-0.046	-0.017	5.500

<r²>	74.521
(<r²>)^1/2	8.633

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)