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	hartrees
Energy at 0K	-193.046971
Energy at 298.15K	-193.053944
HF Energy	-193.046971
Nuclear repulsion energy	124.405503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3841	3681	17.93
2	A	3257	3122	12.61
3	A	3242	3107	3.11
4	A	3163	3031	6.86
5	A	3153	3021	14.33
6	A	3116	2987	42.44
7	A	1521	1457	17.39
8	A	1458	1397	2.13
9	A	1428	1369	7.85
10	A	1304	1250	77.69
11	A	1247	1195	62.29
12	A	1203	1153	6.56
13	A	1197	1147	0.19
14	A	1127	1080	0.80
15	A	1069	1025	4.92
16	A	1057	1013	21.48
17	A	1002	960	8.76
18	A	942	903	23.64
19	A	845	810	10.33
20	A	824	789	5.38
21	A	765	733	2.70
22	A	410	393	17.57
23	A	404	387	13.14
24	A	326	312	111.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.013	0.479
C2	0.908	-0.740	-0.135
C3	0.886	0.771	-0.136
O4	-1.459	-0.111	-0.198
H5	-0.314	-0.018	1.568
H6	1.607	-1.255	0.517
H7	0.708	-1.238	-1.078
H8	1.570	1.306	0.517
H9	0.683	1.258	-1.085
H10	-1.912	0.734	-0.099

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4916	1.5044	1.3971	1.0918	2.2266	2.1964	2.2406	2.2168	1.9203
C2	1.4916		1.5116	2.4501	2.2169	1.0856	1.0852	2.2475	2.2245	3.1830
C3	1.5044	1.5116		2.5063	2.2290	2.2476	2.2261	1.0862	1.0859	2.7993
O4	1.3971	2.4501	2.5063		2.1069	3.3497	2.5961	3.4195	2.6921	0.9643
H5	1.0918	2.2169	2.2290	2.1069		2.5148	3.0878	2.5318	3.1084	2.4290
H6	2.2266	1.0856	2.2476	3.3497	2.5148		1.8313	2.5617	3.1207	4.0895
H7	2.1964	1.0852	2.2261	2.5961	3.0878	1.8313		3.1240	2.4964	3.4228
H8	2.2406	2.2475	1.0862	3.4195	2.5318	2.5617	3.1240		1.8316	3.5823
H9	2.2168	2.2245	1.0859	2.6921	3.1084	3.1207	2.4964	1.8316		2.8252
H10	1.9203	3.1830	2.7993	0.9643	2.4290	4.0895	3.4228	3.5823	2.8252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.118	C1	C2	H6	118.682
C1	C2	H7	116.049	C1	C3	C2	59.282
C1	C3	H8	118.860	C1	C3	H9	116.779
C1	O4	H10	107.394	C2	C1	C3	60.600
C2	C1	O4	115.982	C2	C1	H5	117.379
C2	C3	H8	118.888	C2	C3	H9	116.880
C3	C1	O4	119.446	C3	C1	H5	117.434
C3	C2	H6	118.947	C3	C2	H7	117.067
O4	C1	H5	115.116	H6	C2	H7	115.047
H8	C3	H9	114.963

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3PW91/6-31G**

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	0.116
2	C	-0.283
3	C	-0.302
4	O	-0.541
5	H	0.118
6	H	0.139
7	H	0.156
8	H	0.135
9	H	0.144
10	H	0.320

	x	y	z	Total
	0.321	1.352	0.631	1.526
CHELPG
AIM
ESP

	x	y	z
x	5.285	-0.206	0.143
y	-0.206	4.999	0.008
z	0.143	0.008	4.623

<r²>	72.906
(<r²>)^1/2	8.538

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)