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	hartrees
Energy at 0K	-191.789207
Energy at 298.15K	-191.796015
HF Energy	-191.789207
Nuclear repulsion energy	122.206744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3330	3299	1.63
2	A	3207	3178	8.84
3	A	3189	3160	1.99
4	A	3107	3078	4.05
5	A	3096	3068	9.34
6	A	3037	3010	44.70
7	A	1465	1452	8.62
8	A	1440	1427	6.90
9	A	1399	1387	1.77
10	A	1269	1258	52.60
11	A	1169	1159	0.30
12	A	1149	1139	40.48
13	A	1144	1134	24.13
14	A	1103	1093	1.68
15	A	1042	1033	7.74
16	A	1014	1005	38.85
17	A	939	931	13.48
18	A	875	867	18.61
19	A	807	799	7.99
20	A	782	774	3.46
21	A	736	730	3.48
22	A	381	377	32.99
23	A	357	354	20.83
24	A	331	328	95.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.005	0.498
C2	0.908	-0.764	-0.133
C3	0.919	0.776	-0.152
O4	-1.487	-0.111	-0.202
H5	-0.276	0.018	1.596
H6	1.608	-1.289	0.518
H7	0.657	-1.251	-1.077
H8	1.623	1.301	0.496
H9	0.700	1.242	-1.115
H10	-1.960	0.771	-0.081

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5151	1.5327	1.4384	1.0988	2.2528	2.2029	2.2659	2.2380	1.9732
C2	1.5151		1.5399	2.4830	2.2361	1.0912	1.0915	2.2740	2.2432	3.2526
C3	1.5327	1.5399		2.5643	2.2484	2.2782	2.2430	1.0920	1.0919	2.8789
O4	1.4384	2.4830	2.5643		2.1715	3.3894	2.5810	3.4861	2.7295	1.0079
H5	1.0988	2.2361	2.2484	2.1715		2.5339	3.1023	2.5413	3.1303	2.4924
H6	2.2528	1.0912	2.2782	3.3894	2.5339		1.8577	2.5905	3.1465	4.1633
H7	2.2029	1.0915	2.2430	2.5810	3.1023	1.8577		3.1497	2.4937	3.4534
H8	2.2659	2.2740	1.0920	3.4861	2.5413	2.5905	3.1497		1.8577	3.6670
H9	2.2380	2.2432	1.0919	2.7295	3.1303	3.1465	2.4937	1.8577		2.8926
H10	1.9732	3.2526	2.8789	1.0079	2.4924	4.1633	3.4534	3.6670	2.8926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.217	C1	C2	H6	118.713
C1	C2	H7	114.396	C1	C3	C2	59.090
C1	C3	H8	118.410	C1	C3	H9	116.001
C1	O4	H10	106.194	C2	C1	C3	60.693
C2	C1	O4	114.406	C2	C1	H5	116.726
C2	C3	H8	118.553	C2	C3	H9	115.895
C3	C1	O4	119.302	C3	C1	H5	116.423
C3	C2	H6	118.973	C3	C2	H7	115.904
O4	C1	H5	117.083	H6	C2	H7	116.661
H8	C3	H9	116.564

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/3-21G

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	-0.041
2	C	-0.422
3	C	-0.444
4	O	-0.506
5	H	0.196
6	H	0.213
7	H	0.238
8	H	0.209
9	H	0.223
10	H	0.333

	x	y	z	Total
	0.263	1.410	0.646	1.573
CHELPG
AIM
ESP

	x	y	z
x	5.166	-0.289	0.218
y	-0.289	4.722	0.031
z	0.218	0.031	4.313

<r²>	75.017
(<r²>)^1/2	8.661

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)