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	hartrees
Energy at 0K	-192.882507
Energy at 298.15K	-192.889511
HF Energy	-192.696296
Nuclear repulsion energy	124.218688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3562	15.98
2	A	3282	3115	14.13
3	A	3266	3100	3.57
4	A	3191	3029	6.72
5	A	3181	3019	13.53
6	A	3153	2993	40.58
7	A	1551	1472	12.10
8	A	1498	1422	1.37
9	A	1453	1379	9.19
10	A	1328	1261	82.91
11	A	1256	1192	50.04
12	A	1223	1161	0.15
13	A	1214	1152	8.30
14	A	1154	1095	0.59
15	A	1094	1038	3.72
16	A	1079	1024	19.56
17	A	1008	957	10.95
18	A	951	903	23.39
19	A	855	811	9.43
20	A	835	792	5.53
21	A	774	735	3.43
22	A	413	392	23.69
23	A	408	387	10.74
24	A	333	316	110.89

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.014	0.482
C2	0.909	-0.742	-0.136
C3	0.887	0.773	-0.137
O4	-1.461	-0.112	-0.199
H5	-0.314	-0.018	1.569
H6	1.611	-1.255	0.513
H7	0.706	-1.239	-1.077
H8	1.572	1.308	0.512
H9	0.678	1.260	-1.084
H10	-1.915	0.739	-0.101

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4923	1.5051	1.4041	1.0895	2.2265	2.1959	2.2403	2.2159	1.9289
C2	1.4923		1.5149	2.4537	2.2193	1.0843	1.0838	2.2495	2.2267	3.1891
C3	1.5051	1.5149		2.5100	2.2312	2.2493	2.2281	1.0849	1.0845	2.8019
O4	1.4041	2.4537	2.5100		2.1095	3.3540	2.5956	3.4235	2.6911	0.9696
H5	1.0895	2.2193	2.2312	2.1095		2.5197	3.0871	2.5358	3.1069	2.4342
H6	2.2265	1.0843	2.2493	3.3540	2.5197		1.8291	2.5635	3.1213	4.0966
H7	2.1959	1.0838	2.2281	2.5956	3.0871	1.8291		3.1246	2.4992	3.4254
H8	2.2403	2.2495	1.0849	3.4235	2.5358	2.5635	3.1246		1.8295	3.5852
H9	2.2159	2.2267	1.0845	2.6911	3.1069	3.1213	2.4992	1.8295		2.8211
H10	1.9289	3.1891	2.8019	0.9696	2.4342	4.0966	3.4254	3.5852	2.8211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.060	C1	C2	H6	118.710
C1	C2	H7	116.049	C1	C3	C2	59.226
C1	C3	H8	118.868	C1	C3	H9	116.739
C1	O4	H10	107.283	C2	C1	C3	60.714
C2	C1	O4	115.767	C2	C1	H5	117.701
C2	C3	H8	118.894	C2	C3	H9	116.909
C3	C1	O4	119.220	C3	C1	H5	117.727
C3	C2	H6	118.923	C3	C2	H7	117.083
O4	C1	H5	114.971	H6	C2	H7	115.057
H8	C3	H9	114.982

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP/6-31G*

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	0.112
2	C	-0.336
3	C	-0.357
4	O	-0.633
5	H	0.143
6	H	0.163
7	H	0.179
8	H	0.159
9	H	0.167
10	H	0.404

	x	y	z	Total
	0.373	1.390	0.667	1.586
CHELPG
AIM
ESP

	x	y	z
x	5.167	-0.213	0.159
y	-0.213	4.889	0.009
z	0.159	0.009	4.507

<r²>	73.254
(<r²>)^1/2	8.559

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)