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	hartrees
Energy at 0K	-191.014966
Energy at 298.15K	-191.021827
HF Energy	-191.014966
Nuclear repulsion energy	123.629556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3381	3320	0.47
2	A	3213	3156	2.76
3	A	3196	3138	1.43
4	A	3112	3056	1.49
5	A	3102	3046	4.47
6	A	3034	2980	39.13
7	A	1460	1433	14.49
8	A	1424	1399	13.37
9	A	1409	1384	1.48
10	A	1267	1244	39.20
11	A	1180	1159	77.68
12	A	1169	1148	7.45
13	A	1165	1144	11.90
14	A	1107	1087	0.90
15	A	1042	1023	8.96
16	A	1018	999	54.15
17	A	976	959	11.30
18	A	901	885	21.29
19	A	820	805	7.69
20	A	796	781	4.67
21	A	752	738	2.60
22	A	391	384	43.99
23	A	366	360	24.11
24	A	337	331	98.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.002	0.491
C2	0.897	-0.752	-0.133
C3	0.903	0.767	-0.149
O4	-1.462	-0.111	-0.197
H5	-0.268	0.014	1.591
H6	1.600	-1.283	0.511
H7	0.636	-1.238	-1.076
H8	1.607	1.298	0.495
H9	0.678	1.235	-1.110
H10	-1.949	0.760	-0.087

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4960	1.5128	1.4113	1.1002	2.2396	2.1799	2.2514	2.2174	1.9617
C2	1.4960		1.5183	2.4448	2.2172	1.0914	1.0922	2.2580	2.2247	3.2227
C3	1.5128	1.5183		2.5227	2.2283	2.2630	2.2246	1.0921	1.0925	2.8525
O4	1.4113	2.4448	2.5227		2.1530	3.3535	2.5386	3.4465	2.6877	1.0042
H5	1.1002	2.2172	2.2283	2.1530		2.5173	3.0817	2.5224	3.1114	2.4893
H6	2.2396	1.0914	2.2630	3.3535	2.5173		1.8568	2.5804	3.1332	4.1381
H7	2.1799	1.0922	2.2246	2.5386	3.0817	1.8568		3.1370	2.4739	3.4138
H8	2.2514	2.2580	1.0921	3.4465	2.5224	2.5804	3.1370		1.8559	3.6428
H9	2.2174	2.2247	1.0925	2.6877	3.1114	3.1332	2.4739	1.8559		2.8587
H10	1.9617	3.2227	2.8525	1.0042	2.4893	4.1381	3.4138	3.6428	2.8587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.242	C1	C2	H6	119.073
C1	C2	H7	113.839	C1	C3	C2	59.147
C1	C3	H8	118.712	C1	C3	H9	115.730
C1	O4	H10	107.408	C2	C1	C3	60.611
C2	C1	O4	114.442	C2	C1	H5	116.474
C2	C3	H8	118.856	C2	C3	H9	115.926
C3	C1	O4	119.206	C3	C1	H5	116.137
C3	C2	H6	119.356	C3	C2	H7	115.935
O4	C1	H5	117.482	H6	C2	H7	116.498
H8	C3	H9	116.321

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: LSDA/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	-0.055
2	C	-0.439
3	C	-0.461
4	O	-0.512
5	H	0.202
6	H	0.222
7	H	0.247
8	H	0.217
9	H	0.231
10	H	0.348

	x	y	z	Total
	0.163	1.473	0.625	1.609
CHELPG
AIM
ESP

	x	y	z
x	5.052	-0.291	0.238
y	-0.291	4.640	0.025
z	0.238	0.025	4.307

<r²>	73.487
(<r²>)^1/2	8.572

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)