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	hartrees
Energy at 0K	-193.115233
Energy at 298.15K	-193.122177
HF Energy	-193.115233
Nuclear repulsion energy	123.877259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3754	3642	20.05
2	A	3228	3131	13.47
3	A	3212	3115	3.06
4	A	3130	3036	6.11
5	A	3120	3026	14.37
6	A	3083	2990	43.23
7	A	1490	1445	18.56
8	A	1420	1377	1.98
9	A	1400	1358	4.11
10	A	1298	1259	88.31
11	A	1227	1190	46.19
12	A	1181	1146	7.55
13	A	1178	1143	0.28
14	A	1109	1075	0.67
15	A	1051	1019	1.56
16	A	1034	1003	19.80
17	A	983	953	10.26
18	A	924	897	21.87
19	A	830	805	8.81
20	A	809	785	5.04
21	A	751	729	3.73
22	A	405	393	11.55
23	A	399	387	15.04
24	A	326	317	100.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.241	-0.010	0.482
C2	0.909	-0.746	-0.133
C3	0.891	0.774	-0.140
O4	-1.461	-0.111	-0.201
H5	-0.315	-0.010	1.578
H6	1.614	-1.263	0.523
H7	0.699	-1.246	-1.081
H8	1.582	1.313	0.513
H9	0.679	1.258	-1.096
H10	-1.928	0.730	-0.083

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4972	1.5106	1.4021	1.0990	2.2380	2.2029	2.2526	2.2237	1.9270
C2	1.4972		1.5204	2.4550	2.2291	1.0922	1.0922	2.2604	2.2358	3.1986
C3	1.5106	1.5204		2.5137	2.2406	2.2610	2.2373	1.0930	1.0927	2.8196
O4	1.4021	2.4550	2.5137		2.1188	3.3621	2.5943	3.4350	2.6937	0.9691
H5	1.0990	2.2291	2.2406	2.1188		2.5305	3.1029	2.5461	3.1223	2.4304
H6	2.2380	1.0922	2.2610	3.3621	2.5305		1.8458	2.5762	3.1388	4.1085
H7	2.2029	1.0922	2.2373	2.5943	3.1029	1.8458		3.1418	2.5050	3.4358
H8	2.2526	2.2604	1.0930	3.4350	2.5461	2.5762	3.1418		1.8465	3.6076
H9	2.2237	2.2358	1.0927	2.6937	3.1223	3.1388	2.5050	1.8465		2.8464
H10	1.9270	3.1986	2.8196	0.9691	2.4304	4.1085	3.4358	3.6076	2.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.074	C1	C2	H6	118.772
C1	C2	H7	115.703	C1	C3	C2	59.201
C1	C3	H8	118.934	C1	C3	H9	116.418
C1	O4	H10	107.299	C2	C1	C3	60.726
C2	C1	O4	115.682	C2	C1	H5	117.499
C2	C3	H8	118.839	C2	C3	H9	116.697
C3	C1	O4	119.270	C3	C1	H5	117.450
C3	C2	H6	118.944	C3	C2	H7	116.868
O4	C1	H5	115.277	H6	C2	H7	115.338
H8	C3	H9	115.304

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYPultrafine/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	0.058
2	C	-0.009
3	C	-0.033
4	O	-0.244
5	H	-0.006
6	H	0.022
7	H	0.030
8	H	0.019
9	H	0.020
10	H	0.141

	x	y	z	Total
	0.188	1.252	0.647	1.421
CHELPG
AIM
ESP

	x	y	z
x	5.536	-0.216	0.096
y	-0.216	5.235	0.007
z	0.096	0.007	4.857

<r²>	73.618
(<r²>)^1/2	8.580

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)