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	hartrees
Energy at 0K	-193.115898
Energy at 298.15K	-193.122904
HF Energy	-193.115898
Nuclear repulsion energy	124.752397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3881	3713	29.55
2	A	3256	3115	13.62
3	A	3239	3099	2.81
4	A	3161	3024	6.24
5	A	3151	3014	14.78
6	A	3125	2989	37.88
7	A	1517	1451	19.71
8	A	1451	1389	4.29
9	A	1423	1361	4.28
10	A	1310	1254	82.87
11	A	1250	1196	55.00
12	A	1203	1151	7.96
13	A	1198	1146	0.20
14	A	1126	1078	0.95
15	A	1069	1022	3.26
16	A	1054	1009	25.50
17	A	1004	960	10.71
18	A	946	905	26.19
19	A	847	810	11.43
20	A	826	790	6.76
21	A	768	735	3.41
22	A	412	395	16.39
23	A	408	391	11.35
24	A	327	313	112.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.014	0.479
C2	0.906	-0.739	-0.135
C3	0.883	0.770	-0.136
O4	-1.453	-0.110	-0.198
H5	-0.313	-0.020	1.565
H6	1.606	-1.252	0.512
H7	0.698	-1.232	-1.076
H8	1.566	1.303	0.514
H9	0.674	1.254	-1.082
H10	-1.907	0.728	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4874	1.5007	1.3942	1.0883	2.2213	2.1861	2.2345	2.2088	1.9155
C2	1.4874		1.5097	2.4422	2.2123	1.0823	1.0822	2.2424	2.2185	3.1730
C3	1.5007	1.5097		2.4976	2.2246	2.2433	2.2196	1.0830	1.0828	2.7911
O4	1.3942	2.4422	2.4976		2.1015	3.3414	2.5803	3.4090	2.6772	0.9587
H5	1.0883	2.2123	2.2246	2.1015		2.5121	3.0770	2.5270	3.0990	2.4217
H6	2.2213	1.0823	2.2433	3.3414	2.5121		1.8288	2.5556	3.1125	4.0785
H7	2.1861	1.0822	2.2196	2.5803	3.0770	1.8288		3.1157	2.4857	3.4042
H8	2.2345	2.2424	1.0830	3.4090	2.5270	2.5556	3.1157		1.8293	3.5735
H9	2.2088	2.2185	1.0828	2.6772	3.0990	3.1125	2.4857	1.8293		2.8125
H10	1.9155	3.1730	2.7911	0.9587	2.4217	4.0785	3.4042	3.5735	2.8125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.091	C1	C2	H6	118.786
C1	C2	H7	115.697	C1	C3	C2	59.217
C1	C3	H8	118.841	C1	C3	H9	116.579
C1	O4	H10	107.552	C2	C1	C3	60.691
C2	C1	O4	115.849	C2	C1	H5	117.555
C2	C3	H8	118.816	C2	C3	H9	116.723
C3	C1	O4	119.203	C3	C1	H5	117.580
C3	C2	H6	118.948	C3	C2	H7	116.865
O4	C1	H5	115.122	H6	C2	H7	115.326
H8	C3	H9	115.257

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: mPW1PW91/6-311G**

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	-0.267
3	C	-0.280
4	O	-0.382
5	H	0.123
6	H	0.138
7	H	0.152
8	H	0.132
9	H	0.141
10	H	0.240

	x	y	z	Total
	0.320	1.331	0.689	1.533
CHELPG
AIM
ESP

	x	y	z
x	5.601	-0.186	0.042
y	-0.186	5.341	0.002
z	0.042	0.002	4.893

<r²>	72.778
(<r²>)^1/2	8.531

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)