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	hartrees
Energy at 0K	-192.096598
Energy at 298.15K	-192.103459
HF Energy	-192.096598
Nuclear repulsion energy	125.040786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3668	22.43
2	A	3188	3137	3.67
3	A	3173	3122	1.57
4	A	3090	3041	3.12
5	A	3080	3031	7.46
6	A	3022	2974	35.92
7	A	1456	1432	27.58
8	A	1370	1348	3.72
9	A	1363	1341	3.72
10	A	1251	1231	68.18
11	A	1222	1202	62.27
12	A	1182	1163	7.88
13	A	1143	1125	0.13
14	A	1075	1058	1.21
15	A	1024	1007	23.18
16	A	1010	994	0.57
17	A	968	953	12.03
18	A	925	910	19.28
19	A	833	820	8.97
20	A	790	777	5.19
21	A	733	721	1.42
22	A	395	389	28.58
23	A	392	386	3.07
24	A	312	307	93.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.241	-0.013	0.479
C2	0.900	-0.735	-0.136
C3	0.878	0.766	-0.137
O4	-1.441	-0.113	-0.195
H5	-0.306	-0.019	1.578
H6	1.606	-1.258	0.512
H7	0.681	-1.233	-1.083
H8	1.568	1.310	0.513
H9	0.654	1.254	-1.089
H10	-1.902	0.738	-0.107

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4837	1.4960	1.3802	1.1009	2.2278	2.1861	2.2417	2.2055	1.9148
C2	1.4837		1.5017	2.4232	2.2151	1.0919	1.0924	2.2472	2.2190	3.1656
C3	1.4960	1.5017		2.4804	2.2267	2.2473	2.2211	1.0927	1.0930	2.7798
O4	1.3802	2.4232	2.4804		2.1074	3.3315	2.5587	3.4031	2.6559	0.9711
H5	1.1009	2.2151	2.2267	2.1074		2.5160	3.0874	2.5327	3.1071	2.4410
H6	2.2278	1.0919	2.2473	3.3315	2.5160		1.8445	2.5686	3.1273	4.0834
H7	2.1861	1.0924	2.2211	2.5587	3.0874	1.8445		3.1309	2.4869	3.3923
H8	2.2417	2.2472	1.0927	3.4031	2.5327	2.5686	3.1309		1.8451	3.5712
H9	2.2055	2.2190	1.0930	2.6559	3.1071	3.1273	2.4869	1.8451		2.7860
H10	1.9148	3.1656	2.7798	0.9711	2.4410	4.0834	3.3923	3.5712	2.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.141	C1	C2	H6	118.970
C1	C2	H7	115.276	C1	C3	C2	59.336
C1	C3	H8	119.165	C1	C3	H9	115.964
C1	O4	H10	107.773	C2	C1	C3	60.523
C2	C1	O4	115.536	C2	C1	H5	117.196
C2	C3	H8	119.202	C2	C3	H9	116.687
C3	C1	O4	119.121	C3	C1	H5	117.249
C3	C2	H6	119.268	C3	C2	H7	116.908
O4	C1	H5	115.830	H6	C2	H7	115.216
H8	C3	H9	115.170

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: LSDA/6-31G(2df,p)

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	0.066
2	C	-0.327
3	C	-0.354
4	O	-0.390
5	H	0.109
6	H	0.145
7	H	0.156
8	H	0.142
9	H	0.144
10	H	0.309

	x	y	z	Total
	0.163	1.255	0.527	1.371
CHELPG
AIM
ESP

	x	y	z
x	5.622	-0.209	0.113
y	-0.209	5.270	-0.008
z	0.113	-0.008	4.940

<r²>	72.204
(<r²>)^1/2	8.497

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)