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	hartrees
Energy at 0K	-191.824758
Energy at 298.15K	-191.831993
HF Energy	-191.824758
Nuclear repulsion energy	124.544649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4012	3622	29.10
2	A	3423	3090	18.08
3	A	3403	3073	5.14
4	A	3341	3017	25.98
5	A	3325	3002	11.86
6	A	3315	2993	16.55
7	A	1655	1495	9.69
8	A	1616	1459	3.82
9	A	1555	1404	8.57
10	A	1393	1258	68.28
11	A	1329	1200	34.57
12	A	1324	1196	51.04
13	A	1294	1168	10.30
14	A	1275	1151	3.60
15	A	1238	1118	2.98
16	A	1216	1098	17.22
17	A	1064	961	13.12
18	A	1037	936	38.76
19	A	926	836	16.51
20	A	893	807	10.14
21	A	837	756	12.16
22	A	443	400	15.40
23	A	438	395	14.92
24	A	339	306	200.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	-0.015	0.487
C2	0.909	-0.740	-0.138
C3	0.887	0.773	-0.137
O4	-1.457	-0.105	-0.199
H5	-0.320	-0.022	1.556
H6	1.607	-1.251	0.497
H7	0.702	-1.236	-1.065
H8	1.567	1.302	0.503
H9	0.682	1.262	-1.069
H10	-1.993	0.675	-0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4859	1.5005	1.4109	1.0731	2.2119	2.1824	2.2256	2.2082	1.9857
C2	1.4859		1.5134	2.4505	2.2125	1.0725	1.0715	2.2394	2.2199	3.2292
C3	1.5005	1.5134		2.5040	2.2259	2.2392	2.2208	1.0730	1.0726	2.8828
O4	1.4109	2.4505	2.5040		2.0926	3.3444	2.5864	3.4083	2.6830	0.9513
H5	1.0731	2.2125	2.2259	2.0926		2.5191	3.0638	2.5341	3.0888	2.4573
H6	2.2119	1.0725	2.2392	3.3444	2.5191		1.8050	2.5530	3.1018	4.1269
H7	2.1824	1.0715	2.2208	2.5864	3.0638	1.8050		3.1063	2.4982	3.4411
H8	2.2256	2.2394	1.0730	3.4083	2.5341	2.5530	3.1063		1.8046	3.6659
H9	2.2082	2.2199	1.0726	2.6830	3.0888	3.1018	2.4982	1.8046		2.9041
H10	1.9857	3.2292	2.8828	0.9513	2.4573	4.1269	3.4411	3.6659	2.9041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.032	C1	C2	H6	118.781
C1	C2	H7	116.225	C1	C3	C2	59.074
C1	C3	H8	118.782	C1	C3	H9	117.260
C1	O4	H10	112.973	C2	C1	C3	60.894
C2	C1	O4	115.522	C2	C1	H5	118.793
C2	C3	H8	118.975	C2	C3	H9	117.267
C3	C1	O4	118.617	C3	C1	H5	118.800
C3	C2	H6	118.988	C3	C2	H7	117.419
O4	C1	H5	114.113	H6	C2	H7	114.673
H8	C3	H9	114.512

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/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	0.131
2	C	-0.338
3	C	-0.370
4	O	-0.741
5	H	0.174
6	H	0.177
7	H	0.204
8	H	0.173
9	H	0.189
10	H	0.401

	x	y	z	Total
	0.634	1.657	1.010	2.042
CHELPG
AIM
ESP

	x	y	z
x	4.926	-0.226	0.143
y	-0.226	4.662	0.018
z	0.143	0.018	4.212

<r²>	73.361
(<r²>)^1/2	8.565

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)