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	hartrees
Energy at 0K	-192.937916
Energy at 298.15K	-192.944795
HF Energy	-192.937916
Nuclear repulsion energy	123.713835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3643	15.92
2	A	3166	3130	10.59
3	A	3150	3114	2.39
4	A	3075	3040	7.65
5	A	3066	3031	13.76
6	A	3030	2995	35.89
7	A	1453	1436	15.78
8	A	1406	1390	3.62
9	A	1367	1351	5.66
10	A	1256	1242	44.95
11	A	1194	1180	61.59
12	A	1156	1143	0.22
13	A	1153	1140	15.10
14	A	1083	1071	1.43
15	A	1025	1013	4.19
16	A	1005	994	30.32
17	A	960	949	13.74
18	A	906	895	22.85
19	A	816	806	10.79
20	A	797	788	7.01
21	A	737	729	3.72
22	A	401	397	9.55
23	A	397	393	15.75
24	A	316	312	109.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.011	0.482
C2	0.910	-0.746	-0.135
C3	0.895	0.773	-0.139
O4	-1.470	-0.111	-0.199
H5	-0.314	-0.013	1.575
H6	1.609	-1.266	0.520
H7	0.704	-1.242	-1.083
H8	1.580	1.310	0.518
H9	0.690	1.258	-1.094
H10	-1.925	0.742	-0.096

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4947	1.5092	1.4121	1.0965	2.2323	2.2020	2.2463	2.2250	1.9374
C2	1.4947		1.5188	2.4637	2.2268	1.0901	1.0901	2.2586	2.2326	3.2024
C3	1.5092	1.5188		2.5247	2.2396	2.2590	2.2333	1.0909	1.0907	2.8203
O4	1.4121	2.4637	2.5247		2.1196	3.3660	2.6052	3.4403	2.7094	0.9730
H5	1.0965	2.2268	2.2396	2.1196		2.5261	3.1007	2.5410	3.1223	2.4413
H6	2.2323	1.0901	2.2590	3.3660	2.5261		1.8413	2.5763	3.1341	4.1117
H7	2.2020	1.0901	2.2333	2.6052	3.1007	1.8413		3.1374	2.5001	3.4391
H8	2.2463	2.2586	1.0909	3.4403	2.5410	2.5763	3.1374		1.8422	3.6039
H9	2.2250	2.2326	1.0907	2.7094	3.1223	3.1341	2.5001	1.8422		2.8464
H10	1.9374	3.2024	2.8203	0.9730	2.4413	4.1117	3.4391	3.6039	2.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.102	C1	C2	H6	118.616
C1	C2	H7	115.959	C1	C3	C2	59.155
C1	C3	H8	118.636	C1	C3	H9	116.778
C1	O4	H10	107.198	C2	C1	C3	60.743
C2	C1	O4	115.870	C2	C1	H5	117.675
C2	C3	H8	118.953	C2	C3	H9	116.689
C3	C1	O4	119.557	C3	C1	H5	117.652
C3	C2	H6	119.055	C3	C2	H7	116.790
O4	C1	H5	114.747	H6	C2	H7	115.248
H8	C3	H9	115.221

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.107
2	C	-0.260
3	C	-0.303
4	O	-0.305
5	H	0.134
6	H	0.147
7	H	0.151
8	H	0.136
9	H	0.150
10	H	0.257

	x	y	z	Total
	0.390	1.328	0.669	1.537
CHELPG
AIM
ESP

	x	y	z
x	6.330	-0.157	0.028
y	-0.157	5.989	-0.002
z	0.028	-0.002	5.443

<r²>	74.102
(<r²>)^1/2	8.608

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)