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	hartrees
Energy at 0K	-190.832579
Energy at 298.15K	-190.839740
HF Energy	-190.832579
Nuclear repulsion energy	124.248246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3851	3476	13.50
2	A	3430	3096	9.54
3	A	3411	3079	2.73
4	A	3339	3014	13.80
5	A	3329	3005	20.51
6	A	3323	2999	15.13
7	A	1633	1474	6.97
8	A	1601	1445	5.11
9	A	1537	1387	4.88
10	A	1396	1260	92.70
11	A	1311	1184	1.37
12	A	1283	1158	32.76
13	A	1276	1152	14.69
14	A	1259	1137	26.66
15	A	1224	1105	2.86
16	A	1191	1075	18.93
17	A	1035	934	9.83
18	A	998	901	31.82
19	A	898	811	15.50
20	A	869	784	5.36
21	A	822	742	9.80
22	A	426	385	18.51
23	A	406	367	9.21
24	A	349	315	164.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	-0.015	0.495
C2	0.908	-0.745	-0.142
C3	0.886	0.777	-0.140
O4	-1.461	-0.110	-0.196
H5	-0.294	-0.019	1.566
H6	1.615	-1.247	0.487
H7	0.676	-1.227	-1.069
H8	1.572	1.295	0.499
H9	0.664	1.254	-1.074
H10	-1.954	0.718	-0.116

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4921	1.5062	1.4175	1.0726	2.2158	2.1751	2.2250	2.2056	1.9731
C2	1.4921		1.5214	2.4529	2.2111	1.0711	1.0705	2.2384	2.2184	3.2142
C3	1.5062	1.5214		2.5090	2.2219	2.2406	2.2181	1.0715	1.0715	2.8406
O4	1.4175	2.4529	2.5090		2.1148	3.3493	2.5643	3.4137	2.6727	0.9669
H5	1.0726	2.2111	2.2219	2.1148		2.5134	3.0567	2.5193	3.0830	2.4747
H6	2.2158	1.0711	2.2406	3.3493	2.5134		1.8173	2.5421	3.0975	4.1182
H7	2.1751	1.0705	2.2181	2.5643	3.0567	1.8173		3.1015	2.4806	3.4071
H8	2.2250	2.2384	1.0715	3.4137	2.5193	2.5421	3.1015		1.8166	3.6254
H9	2.2056	2.2184	1.0715	2.6727	3.0830	3.0975	2.4806	1.8166		2.8386
H10	1.9731	3.2142	2.8406	0.9669	2.4747	4.1182	3.4071	3.6254	2.8386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.967	C1	C2	H6	118.716
C1	C2	H7	115.173	C1	C3	C2	59.054
C1	C3	H8	118.376	C1	C3	H9	116.651
C1	O4	H10	110.253	C2	C1	C3	60.979
C2	C1	O4	114.896	C2	C1	H5	118.185
C2	C3	H8	118.340	C2	C3	H9	116.583
C3	C1	O4	118.190	C3	C1	H5	118.016
C3	C2	H6	118.562	C3	C2	H7	116.622
O4	C1	H5	115.571	H6	C2	H7	116.112
H8	C3	H9	115.925

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/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	-0.447
3	C	-0.479
4	O	-0.670
5	H	0.216
6	H	0.227
7	H	0.257
8	H	0.224
9	H	0.241
10	H	0.376

	x	y	z	Total
	0.544	1.594	0.861	1.892
CHELPG
AIM
ESP

	x	y	z
x	4.680	-0.277	0.147
y	-0.277	4.473	0.003
z	0.147	0.003	4.003

<r²>	73.388
(<r²>)^1/2	8.567

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)