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	hartrees
Energy at 0K	-193.034238
Energy at 298.15K	-193.041212
HF Energy	-193.034238
Nuclear repulsion energy	124.334083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3605	15.83
2	A	3258	3117	14.37
3	A	3242	3101	3.41
4	A	3168	3031	7.34
5	A	3157	3021	15.20
6	A	3121	2986	44.81
7	A	1531	1465	15.62
8	A	1472	1409	2.07
9	A	1438	1376	7.48
10	A	1317	1260	86.47
11	A	1252	1198	53.52
12	A	1208	1155	7.11
13	A	1204	1152	0.49
14	A	1132	1083	0.79
15	A	1074	1028	5.15
16	A	1062	1016	21.77
17	A	1005	961	8.82
18	A	946	905	23.37
19	A	849	812	10.33
20	A	828	792	5.58
21	A	768	735	2.85
22	A	410	393	21.25
23	A	405	387	12.70
24	A	330	315	111.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.013	0.479
C2	0.909	-0.740	-0.135
C3	0.887	0.771	-0.136
O4	-1.459	-0.112	-0.199
H5	-0.316	-0.019	1.568
H6	1.608	-1.256	0.519
H7	0.711	-1.239	-1.079
H8	1.571	1.307	0.518
H9	0.685	1.259	-1.086
H10	-1.914	0.737	-0.099

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4918	1.5047	1.3978	1.0923	2.2271	2.1982	2.2417	2.2186	1.9228
C2	1.4918		1.5118	2.4511	2.2182	1.0865	1.0860	2.2485	2.2258	3.1863
C3	1.5047	1.5118		2.5077	2.2307	2.2485	2.2275	1.0871	1.0867	2.8013
O4	1.3978	2.4511	2.5077		2.1064	3.3510	2.5990	3.4216	2.6951	0.9681
H5	1.0923	2.2182	2.2307	2.1064		2.5163	3.0901	2.5342	3.1109	2.4296
H6	2.2271	1.0865	2.2485	3.3510	2.5163		1.8319	2.5630	3.1226	4.0931
H7	2.1982	1.0860	2.2275	2.5990	3.0901	1.8319		3.1260	2.4989	3.4285
H8	2.2417	2.2485	1.0871	3.4216	2.5342	2.5630	3.1260		1.8324	3.5843
H9	2.2186	2.2258	1.0867	2.6951	3.1109	3.1226	2.4989	1.8324		2.8282
H10	1.9228	3.1863	2.8013	0.9681	2.4296	4.0931	3.4285	3.5843	2.8282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.126	C1	C2	H6	118.656
C1	C2	H7	116.141	C1	C3	C2	59.277
C1	C3	H8	118.859	C1	C3	H9	116.845
C1	O4	H10	107.326	C2	C1	C3	60.597
C2	C1	O4	116.004	C2	C1	H5	117.445
C2	C3	H8	118.894	C2	C3	H9	116.920
C3	C1	O4	119.486	C3	C1	H5	117.517
C3	C2	H6	118.950	C3	C2	H7	117.123
O4	C1	H5	114.987	H6	C2	H7	114.969
H8	C3	H9	114.899

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	0.084
2	C	-0.368
3	C	-0.388
4	O	-0.620
5	H	0.157
6	H	0.178
7	H	0.195
8	H	0.174
9	H	0.183
10	H	0.406

	x	y	z	Total
	0.333	1.379	0.646	1.558
CHELPG
AIM
ESP

	x	y	z
x	5.224	-0.205	0.147
y	-0.205	4.942	0.009
z	0.147	0.009	4.562

<r²>	72.986
(<r²>)^1/2	8.543

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)