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	hartrees
Energy at 0K	-193.113559
Energy at 298.15K	-193.120518
HF Energy	-193.113559
Nuclear repulsion energy	124.674221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3836	3688	27.26
2	A	3236	3112	11.53
3	A	3220	3097	2.18
4	A	3145	3024	6.37
5	A	3136	3016	14.14
6	A	3108	2989	33.98
7	A	1502	1444	17.43
8	A	1447	1391	2.89
9	A	1413	1359	6.33
10	A	1298	1248	69.16
11	A	1237	1189	65.27
12	A	1192	1146	4.75
13	A	1191	1145	3.32
14	A	1126	1082	1.03
15	A	1065	1024	1.98
16	A	1045	1005	24.48
17	A	994	956	10.64
18	A	938	902	22.58
19	A	839	807	10.69
20	A	819	788	6.87
21	A	759	730	3.66
22	A	410	394	10.17
23	A	404	389	11.19
24	A	303	291	107.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.014	0.476
C2	0.908	-0.739	-0.134
C3	0.885	0.770	-0.136
O4	-1.457	-0.111	-0.197
H5	-0.312	-0.019	1.561
H6	1.604	-1.251	0.516
H7	0.710	-1.232	-1.076
H8	1.563	1.305	0.516
H9	0.680	1.253	-1.082
H10	-1.921	0.725	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4865	1.4990	1.3971	1.0872	2.2186	2.1888	2.2316	2.2079	1.9259
C2	1.4865		1.5088	2.4480	2.2093	1.0816	1.0816	2.2422	2.2177	3.1852
C3	1.4990	1.5088		2.5028	2.2215	2.2422	2.2189	1.0823	1.0821	2.8063
O4	1.3971	2.4480	2.5028		2.0999	3.3437	2.5934	3.4110	2.6854	0.9608
H5	1.0872	2.2093	2.2215	2.0999		2.5064	3.0772	2.5224	3.0968	2.4266
H6	2.2186	1.0816	2.2422	3.3437	2.5064		1.8261	2.5562	3.1113	4.0871
H7	2.1888	1.0816	2.2189	2.5934	3.0772	1.8261		3.1144	2.4857	3.4218
H8	2.2316	2.2422	1.0823	3.4110	2.5224	2.5562	3.1144		1.8268	3.5848
H9	2.2079	2.2177	1.0821	2.6854	3.0968	3.1113	2.4857	1.8268		2.8311
H10	1.9259	3.1852	2.8063	0.9608	2.4266	4.0871	3.4218	3.5848	2.8311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.055	C1	C2	H6	118.671
C1	C2	H7	116.040	C1	C3	C2	59.233
C1	C3	H8	118.772	C1	C3	H9	116.684
C1	O4	H10	108.099	C2	C1	C3	60.712
C2	C1	O4	116.158	C2	C1	H5	117.434
C2	C3	H8	118.922	C2	C3	H9	116.769
C3	C1	O4	119.539	C3	C1	H5	117.518
C3	C2	H6	118.973	C3	C2	H7	116.910
O4	C1	H5	114.829	H6	C2	H7	115.162
H8	C3	H9	115.138

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3PW91/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	0.077
2	C	-0.200
3	C	-0.239
4	O	-0.324
5	H	0.077
6	H	0.102
7	H	0.106
8	H	0.096
9	H	0.107
10	H	0.197

	x	y	z	Total
	0.337	1.265	0.648	1.460
CHELPG
AIM
ESP

	x	y	z
x	6.025	-0.162	0.004
y	-0.162	5.727	0.001
z	0.004	0.001	5.211

<r²>	72.981
(<r²>)^1/2	8.543

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)