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	hartrees
Energy at 0K	-193.066787
Energy at 298.15K	-193.073635
HF Energy	-193.066787
Nuclear repulsion energy	123.059498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3599	3590	2.10
2	A	3140	3132	28.11
3	A	3122	3115	4.27
4	A	3052	3045	13.34
5	A	3042	3034	23.87
6	A	3002	2994	54.17
7	A	1467	1463	10.42
8	A	1427	1423	2.72
9	A	1383	1380	2.88
10	A	1272	1269	75.65
11	A	1178	1176	48.44
12	A	1168	1165	1.86
13	A	1147	1144	12.55
14	A	1083	1080	1.51
15	A	1025	1023	4.04
16	A	1000	998	25.09
17	A	940	938	19.39
18	A	890	888	19.87
19	A	810	808	9.31
20	A	790	788	5.38
21	A	732	731	4.92
22	A	396	395	13.96
23	A	391	390	22.63
24	A	325	324	110.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.006	0.485
C2	0.912	-0.754	-0.131
C3	0.906	0.776	-0.142
O4	-1.476	-0.108	-0.205
H5	-0.321	-0.001	1.579
H6	1.609	-1.277	0.525
H7	0.703	-1.256	-1.076
H8	1.598	1.313	0.509
H9	0.704	1.259	-1.099
H10	-1.957	0.730	-0.071

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5036	1.5213	1.4203	1.0971	2.2429	2.2098	2.2611	2.2355	1.9502
C2	1.5036		1.5303	2.4744	2.2378	1.0907	1.0902	2.2697	2.2438	3.2303
C3	1.5213	1.5303		2.5414	2.2520	2.2707	2.2453	1.0916	1.0907	2.8639
O4	1.4203	2.4744	2.5414		2.1274	3.3786	2.6121	3.4610	2.7241	0.9760
H5	1.0971	2.2378	2.2520	2.1274		2.5425	3.1094	2.5600	3.1321	2.4353
H6	2.2429	1.0907	2.2707	3.3786	2.5425		1.8392	2.5898	3.1448	4.1352
H7	2.2098	1.0902	2.2453	2.6121	3.1094	1.8392		3.1479	2.5151	3.4684
H8	2.2611	2.2697	1.0916	3.4610	2.5600	2.5898	3.1479		1.8411	3.6487
H9	2.2355	2.2438	1.0907	2.7241	3.1321	3.1448	2.5151	1.8411		2.9011
H10	1.9502	3.2303	2.8639	0.9760	2.4353	4.1352	3.4684	3.6487	2.9011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.182	C1	C2	H6	118.806
C1	C2	H7	115.940	C1	C3	C2	59.038
C1	C3	H8	118.933	C1	C3	H9	116.742
C1	O4	H10	107.502	C2	C1	C3	60.780
C2	C1	O4	115.589	C2	C1	H5	117.897
C2	C3	H8	118.973	C2	C3	H9	116.758
C3	C1	O4	119.489	C3	C1	H5	117.738
C3	C2	H6	119.123	C3	C2	H7	116.926
O4	C1	H5	114.756	H6	C2	H7	114.990
H8	C3	H9	115.053

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/6-311G*

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	-0.006
2	C	-0.409
3	C	-0.422
4	O	-0.518
5	H	0.181
6	H	0.202
7	H	0.213
8	H	0.195
9	H	0.201
10	H	0.363

	x	y	z	Total
	0.261	1.346	0.746	1.561
CHELPG
AIM
ESP

	x	y	z
x	5.920	-0.212	0.065
y	-0.212	5.522	0.011
z	0.065	0.011	5.074

<r²>	74.774
(<r²>)^1/2	8.647

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)