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	hartrees
Energy at 0K	-193.019471
Energy at 298.15K	-193.026452
HF Energy	-192.776367
Nuclear repulsion energy	124.551218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3825	3670	28.53
2	A	3257	3125	11.46
3	A	3242	3110	2.31
4	A	3165	3036	6.04
5	A	3156	3028	13.58
6	A	3138	3011	31.18
7	A	1516	1455	13.83
8	A	1468	1408	2.11
9	A	1425	1367	8.06
10	A	1308	1255	67.29
11	A	1237	1187	62.46
12	A	1205	1156	0.17
13	A	1196	1147	8.16
14	A	1139	1093	0.91
15	A	1076	1032	1.49
16	A	1051	1009	22.98
17	A	993	953	13.42
18	A	937	899	22.66
19	A	841	807	9.70
20	A	822	789	6.84
21	A	760	729	4.36
22	A	410	393	12.82
23	A	407	391	9.79
24	A	311	298	106.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	-0.014	0.481
C2	0.908	-0.741	-0.136
C3	0.884	0.773	-0.137
O4	-1.459	-0.111	-0.197
H5	-0.309	-0.020	1.562
H6	1.607	-1.250	0.510
H7	0.704	-1.232	-1.075
H8	1.565	1.303	0.512
H9	0.674	1.255	-1.079
H10	-1.916	0.729	-0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4886	1.5012	1.4019	1.0836	2.2179	2.1876	2.2306	2.2068	1.9287
C2	1.4886		1.5143	2.4498	2.2104	1.0789	1.0788	2.2430	2.2198	3.1840
C3	1.5012	1.5143		2.5050	2.2222	2.2429	2.2210	1.0795	1.0793	2.8009
O4	1.4019	2.4498	2.5050		2.1026	3.3452	2.5893	3.4124	2.6821	0.9613
H5	1.0836	2.2104	2.2222	2.1026		2.5079	3.0739	2.5229	3.0931	2.4325
H6	2.2179	1.0789	2.2429	3.3452	2.5079		1.8240	2.5531	3.1092	4.0866
H7	2.1876	1.0788	2.2210	2.5893	3.0739	1.8240		3.1125	2.4869	3.4137
H8	2.2306	2.2430	1.0795	3.4124	2.5229	2.5531	3.1125		1.8245	3.5813
H9	2.2068	2.2198	1.0793	2.6821	3.0931	3.1092	2.4869	1.8245		2.8171
H10	1.9287	3.1840	2.8009	0.9613	2.4325	4.0866	3.4137	3.5813	2.8171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.981	C1	C2	H6	118.626
C1	C2	H7	115.952	C1	C3	C2	59.162
C1	C3	H8	118.709	C1	C3	H9	116.611
C1	O4	H10	107.944	C2	C1	C3	60.857
C2	C1	O4	115.854	C2	C1	H5	117.615
C2	C3	H8	118.757	C2	C3	H9	116.716
C3	C1	O4	119.239	C3	C1	H5	117.664
C3	C2	H6	118.786	C3	C2	H7	116.856
O4	C1	H5	114.946	H6	C2	H7	115.418
H8	C3	H9	115.377

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP/cc-pVTZ

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	0.072
2	C	-0.240
3	C	-0.284
4	O	-0.338
5	H	0.100
6	H	0.121
7	H	0.123
8	H	0.115
9	H	0.124
10	H	0.208

	x	y	z	Total
	0.371	1.275	0.661	1.483
CHELPG
AIM
ESP

	x	y	z
x	5.997	-0.167	0.007
y	-0.167	5.716	-0.001
z	0.007	-0.001	5.181

<r²>	73.259
(<r²>)^1/2	8.559

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)