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	hartrees
Energy at 0K	-193.029109
Energy at 298.15K	-193.036003
HF Energy	-193.029109
Nuclear repulsion energy	123.818225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3675	3.69
2	A	3170	3170	31.28
3	A	3151	3151	5.38
4	A	3078	3078	14.89
5	A	3066	3066	27.99
6	A	3027	3027	59.93
7	A	1482	1482	12.78
8	A	1434	1434	2.69
9	A	1397	1397	3.28
10	A	1288	1288	79.95
11	A	1203	1203	50.11
12	A	1179	1179	0.43
13	A	1164	1164	13.07
14	A	1092	1092	1.31
15	A	1031	1031	5.35
16	A	1012	1012	25.60
17	A	965	965	14.01
18	A	915	915	22.78
19	A	825	825	11.41
20	A	805	805	5.78
21	A	749	749	4.37
22	A	403	403	15.78
23	A	397	397	17.58
24	A	318	318	115.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	-0.011	0.482
C2	0.910	-0.746	-0.134
C3	0.895	0.773	-0.139
O4	-1.467	-0.110	-0.200
H5	-0.316	-0.012	1.574
H6	1.608	-1.265	0.519
H7	0.704	-1.243	-1.079
H8	1.582	1.309	0.514
H9	0.689	1.258	-1.091
H10	-1.927	0.735	-0.089

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4950	1.5109	1.4095	1.0947	2.2317	2.1999	2.2489	2.2233	1.9334
C2	1.4950		1.5189	2.4616	2.2264	1.0881	1.0874	2.2569	2.2311	3.2006
C3	1.5109	1.5189		2.5224	2.2392	2.2573	2.2327	1.0890	1.0883	2.8225
O4	1.4095	2.4616	2.5224		2.1170	3.3632	2.6022	3.4386	2.7042	0.9684
H5	1.0947	2.2264	2.2392	2.1170		2.5269	3.0971	2.5441	3.1182	2.4330
H6	2.2317	1.0881	2.2573	3.3632	2.5269		1.8362	2.5741	3.1306	4.1074
H7	2.1999	1.0874	2.2327	2.6022	3.0971	1.8362		3.1338	2.5006	3.4375
H8	2.2489	2.2569	1.0890	3.4386	2.5441	2.5741	3.1338		1.8376	3.6070
H9	2.2233	2.2311	1.0883	2.7042	3.1182	3.1306	2.5006	1.8376		2.8497
H10	1.9334	3.2006	2.8225	0.9684	2.4330	4.1074	3.4375	3.6070	2.8497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.167	C1	C2	H6	118.683
C1	C2	H7	115.932	C1	C3	C2	59.133
C1	C3	H8	118.877	C1	C3	H9	116.672
C1	O4	H10	107.331	C2	C1	C3	60.700
C2	C1	O4	115.852	C2	C1	H5	117.741
C2	C3	H8	118.945	C2	C3	H9	116.722
C3	C1	O4	119.431	C3	C1	H5	117.607
C3	C2	H6	119.039	C3	C2	H7	116.922
O4	C1	H5	114.847	H6	C2	H7	115.129
H8	C3	H9	115.132

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/6-311G*

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	-0.421
3	C	-0.436
4	O	-0.534
5	H	0.185
6	H	0.209
7	H	0.220
8	H	0.202
9	H	0.209
10	H	0.372

	x	y	z	Total
	0.296	1.380	0.702	1.577
CHELPG
AIM
ESP

	x	y	z
x	5.792	-0.198	0.065
y	-0.198	5.454	0.007
z	0.065	0.007	5.004

<r²>	73.815
(<r²>)^1/2	8.592

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)