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	hartrees
Energy at 0K	-190.566573
Energy at 298.15K	-190.573382
HF Energy	-190.566573
Nuclear repulsion energy	122.076603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3320	27.52
2	A	3591	3171	1.37
3	A	3585	3166	0.17
4	A	3440	3037	4.04
5	A	3430	3028	4.65
6	A	3385	2989	7.27
7	A	1662	1468	7.81
8	A	1590	1404	0.88
9	A	1576	1392	2.03
10	A	1442	1274	50.88
11	A	1322	1167	2.04
12	A	1295	1143	0.12
13	A	1264	1116	1.89
14	A	1240	1095	5.68
15	A	1220	1077	0.73
16	A	1206	1065	1.76
17	A	1081	955	1.03
18	A	1035	914	10.33
19	A	904	798	3.20
20	A	886	782	1.58
21	A	837	739	0.56
22	A	405	357	6.83
23	A	390	345	5.71
24	A	324	287	76.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.252	0.009	0.471
C2	0.927	-0.753	-0.107
C3	0.923	0.766	-0.156
O4	-1.502	-0.116	-0.223
H5	-0.312	0.048	1.574
H6	1.606	-1.258	0.582
H7	0.761	-1.281	-1.049
H8	1.598	1.315	0.504
H9	0.761	1.230	-1.130
H10	-1.982	0.741	0.055

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5179	1.5313	1.4356	1.1047	2.2518	2.2359	2.2646	2.2541	1.9235
C2	1.5179		1.5193	2.5133	2.2357	1.0919	1.0922	2.2583	2.2377	3.2734
C3	1.5313	1.5193		2.5811	2.2428	2.2603	2.2387	1.0919	1.0919	2.9120
O4	1.4356	2.5133	2.5811		2.1617	3.4075	2.6750	3.4912	2.7849	1.0212
H5	1.1047	2.2357	2.2428	2.1617		2.5228	3.1289	2.5297	3.1401	2.3611
H6	2.2518	1.0919	2.2603	3.4075	2.5228		1.8371	2.5748	3.1372	4.1406
H7	2.2359	1.0922	2.2387	2.6750	3.1289	1.8371		3.1383	2.5124	3.5812
H8	2.2646	2.2583	1.0919	3.4912	2.5297	2.5748	3.1383		1.8380	3.6529
H9	2.2541	2.2377	1.0919	2.7849	3.1401	3.1372	2.5124	1.8380		3.0272
H10	1.9235	3.2734	2.9120	1.0212	2.3611	4.1406	3.5812	3.6529	3.0272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.554	C1	C2	H6	118.355
C1	C2	H7	116.941	C1	C3	C2	59.677
C1	C3	H8	118.415	C1	C3	H9	117.496
C1	O4	H10	101.728	C2	C1	C3	59.769
C2	C1	O4	116.597	C2	C1	H5	116.073
C2	C3	H8	118.813	C2	C3	H9	117.012
C3	C1	O4	120.873	C3	C1	H5	115.655
C3	C2	H6	118.994	C3	C2	H7	117.076
O4	C1	H5	116.027	H6	C2	H7	114.517
H8	C3	H9	114.624

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B1B95/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	-0.004
2	C	-0.174
3	C	-0.182
4	O	-0.246
5	H	0.074
6	H	0.086
7	H	0.094
8	H	0.084
9	H	0.087
10	H	0.181

	x	y	z	Total
	0.198	1.060	0.736	1.305
CHELPG
AIM
ESP

	x	y	z
x	3.165	-0.285	0.086
y	-0.285	2.601	0.086
z	0.086	0.086	2.374

<r²>	74.612
(<r²>)^1/2	8.638

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)