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	hartrees
Energy at 0K	-193.052488
Energy at 298.15K	-193.059262
HF Energy	-193.052488
Nuclear repulsion energy	122.655501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3644	3638	14.91
2	A	3157	3151	16.22
3	A	3141	3136	2.42
4	A	3063	3058	8.92
5	A	3055	3049	16.99
6	A	3031	3025	34.48
7	A	1442	1440	11.54
8	A	1404	1401	1.91
9	A	1347	1344	8.35
10	A	1249	1246	55.42
11	A	1174	1172	52.53
12	A	1142	1140	0.46
13	A	1127	1125	14.72
14	A	1068	1066	2.01
15	A	1006	1004	2.83
16	A	984	982	20.86
17	A	928	926	20.13
18	A	882	881	17.13
19	A	796	795	9.35
20	A	778	777	5.98
21	A	718	716	4.82
22	A	392	392	6.17
23	A	384	384	12.33
24	A	283	283	98.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.009	0.487
C2	0.918	-0.755	-0.135
C3	0.903	0.781	-0.141
O4	-1.481	-0.111	-0.202
H5	-0.324	-0.010	1.584
H6	1.621	-1.275	0.526
H7	0.714	-1.257	-1.086
H8	1.593	1.322	0.518
H9	0.696	1.269	-1.101
H10	-1.957	0.734	-0.092

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5080	1.5219	1.4273	1.1006	2.2477	2.2218	2.2614	2.2410	1.9620
C2	1.5080		1.5363	2.4851	2.2473	1.0958	1.0955	2.2787	2.2537	3.2379
C3	1.5219	1.5363		2.5468	2.2605	2.2784	2.2550	1.0965	1.0959	2.8609
O4	1.4273	2.4851	2.5468		2.1310	3.3922	2.6295	3.4672	2.7301	0.9761
H5	1.1006	2.2473	2.2605	2.1310		2.5499	3.1247	2.5659	3.1441	2.4557
H6	2.2477	1.0958	2.2784	3.3922	2.5499		1.8496	2.5973	3.1584	4.1495
H7	2.2218	1.0955	2.2550	2.6295	3.1247	1.8496		3.1619	2.5266	3.4767
H8	2.2614	2.2787	1.0965	3.4672	2.5659	2.5973	3.1619		1.8513	3.6494
H9	2.2410	2.2537	1.0959	2.7301	3.1441	3.1584	2.5266	1.8513		2.8883
H10	1.9620	3.2379	2.8609	0.9761	2.4557	4.1495	3.4767	3.6494	2.8883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.980	C1	C2	H6	118.506
C1	C2	H7	116.267	C1	C3	C2	59.090
C1	C3	H8	118.551	C1	C3	H9	116.818
C1	O4	H10	107.969	C2	C1	C3	60.930
C2	C1	O4	115.660	C2	C1	H5	118.129
C2	C3	H8	118.934	C2	C3	H9	116.799
C3	C1	O4	119.398	C3	C1	H5	118.188
C3	C2	H6	118.960	C3	C2	H7	116.936
O4	C1	H5	114.292	H6	C2	H7	115.146
H8	C3	H9	115.217

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/aug-cc-pVDZ

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	1.305
2	C	1.260
3	C	1.221
4	O	-0.456
5	H	-0.665
6	H	-0.703
7	H	-0.652
8	H	-0.702
9	H	-0.680
10	H	0.072

	x	y	z	Total
	0.510	1.232	0.707	1.509
CHELPG
AIM
ESP

	x	y	z
x	7.129	-0.118	-0.051
y	-0.118	6.641	-0.013
z	-0.051	-0.013	6.015

<r²>	75.492
(<r²>)^1/2	8.689

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)