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	hartrees
Energy at 0K	-191.934354
Energy at 298.15K	-191.941556
HF Energy	-191.934354
Nuclear repulsion energy	125.432781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4169	3775	49.77
2	A	3377	3058	22.76
3	A	3359	3041	4.11
4	A	3288	2977	9.15
5	A	3275	2965	23.91
6	A	3268	2959	38.91
7	A	1644	1489	17.02
8	A	1577	1428	0.68
9	A	1540	1395	12.07
10	A	1417	1283	120.85
11	A	1337	1211	45.44
12	A	1298	1175	0.38
13	A	1286	1164	2.91
14	A	1244	1126	1.27
15	A	1193	1080	0.29
16	A	1172	1061	11.35
17	A	1072	970	10.92
18	A	1014	918	27.74
19	A	898	813	10.58
20	A	879	796	8.48
21	A	814	737	4.25
22	A	439	398	18.63
23	A	433	392	7.04
24	A	338	306	117.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.020	0.473
C2	0.909	-0.734	-0.135
C3	0.873	0.772	-0.131
O4	-1.446	-0.110	-0.196
H5	-0.323	-0.028	1.548
H6	1.606	-1.236	0.511
H7	0.723	-1.227	-1.072
H8	1.544	1.304	0.520
H9	0.672	1.259	-1.069
H10	-1.908	0.704	-0.110

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4834	1.4941	1.3813	1.0785	2.2110	2.1844	2.2225	2.2014	1.9091
C2	1.4834		1.5073	2.4365	2.2022	1.0751	1.0746	2.2333	2.2140	3.1628
C3	1.4941	1.5073		2.4819	2.2112	2.2327	2.2147	1.0756	1.0755	2.7816
O4	1.3813	2.4365	2.4819		2.0759	3.3284	2.5920	3.3840	2.6690	0.9406
H5	1.0785	2.2022	2.2112	2.0759		2.5009	3.0657	2.5129	3.0814	2.4078
H6	2.2110	1.0751	2.2327	3.3284	2.5009		1.8128	2.5410	3.0977	4.0615
H7	2.1844	1.0746	2.2147	2.5920	3.0657	1.8128		3.1005	2.4863	3.4026
H8	2.2225	2.2333	1.0756	3.3840	2.5129	2.5410	3.1005		1.8130	3.5598
H9	2.2014	2.2140	1.0755	2.6690	3.0814	3.0977	2.4863	1.8130		2.8079
H10	1.9091	3.1628	2.7816	0.9406	2.4078	4.0615	3.4026	3.5598	2.8079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.939	C1	C2	H6	118.715
C1	C2	H7	116.384	C1	C3	C2	59.236
C1	C3	H8	118.837	C1	C3	H9	116.970
C1	O4	H10	109.137	C2	C1	C3	60.825
C2	C1	O4	116.489	C2	C1	H5	117.677
C2	C3	H8	118.735	C2	C3	H9	117.026
C3	C1	O4	119.288	C3	C1	H5	117.622
C3	C2	H6	118.719	C3	C2	H7	117.151
O4	C1	H5	114.555	H6	C2	H7	114.986
H8	C3	H9	114.885

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/6-31G(2df,p)

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	0.190
2	C	-0.314
3	C	-0.343
4	O	-0.572
5	H	0.120
6	H	0.144
7	H	0.159
8	H	0.141
9	H	0.149
10	H	0.328

	x	y	z	Total
	0.367	1.332	0.684	1.542
CHELPG
AIM
ESP

	x	y	z
x	5.162	-0.166	0.047
y	-0.166	4.984	-0.008
z	0.047	-0.008	4.562

<r²>	72.224
(<r²>)^1/2	8.498

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)