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	hartrees
Energy at 0K	-193.171468
Energy at 298.15K	-193.178415
HF Energy	-193.171468
Nuclear repulsion energy	124.172313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3777	3777	17.51
2	A	3226	3226	19.73
3	A	3209	3209	3.48
4	A	3133	3133	9.01
5	A	3123	3123	19.55
6	A	3096	3096	43.54
7	A	1508	1508	13.08
8	A	1458	1458	2.47
9	A	1411	1411	5.86
10	A	1298	1298	72.89
11	A	1226	1226	50.22
12	A	1196	1196	0.20
13	A	1183	1183	12.64
14	A	1120	1120	1.28
15	A	1062	1062	2.87
16	A	1043	1043	23.31
17	A	987	987	14.02
18	A	933	933	23.82
19	A	834	834	12.02
20	A	814	814	6.49
21	A	755	755	3.30
22	A	397	397	23.36
23	A	396	396	5.27
24	A	323	323	105.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	-0.010	0.486
C2	0.906	-0.745	-0.135
C3	0.890	0.772	-0.140
O4	-1.461	-0.110	-0.200
H5	-0.316	-0.012	1.572
H6	1.608	-1.259	0.511
H7	0.692	-1.238	-1.075
H8	1.579	1.303	0.507
H9	0.678	1.254	-1.087
H10	-1.918	0.733	-0.093

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4931	1.5071	1.4072	1.0892	2.2271	2.1922	2.2411	2.2153	1.9277
C2	1.4931		1.5168	2.4514	2.2232	1.0837	1.0833	2.2493	2.2254	3.1877
C3	1.5071	1.5168		2.5116	2.2358	2.2503	2.2262	1.0845	1.0840	2.8085
O4	1.4072	2.4514	2.5116		2.1122	3.3530	2.5833	3.4266	2.6871	0.9653
H5	1.0892	2.2232	2.2358	2.1122		2.5258	3.0864	2.5409	3.1083	2.4279
H6	2.2271	1.0837	2.2503	3.3530	2.5258		1.8317	2.5624	3.1198	4.0945
H7	2.1922	1.0833	2.2262	2.5833	3.0864	1.8317		3.1226	2.4921	3.4153
H8	2.2411	2.2493	1.0845	3.4266	2.5409	2.5624	3.1226		1.8325	3.5939
H9	2.2153	2.2254	1.0840	2.6871	3.1083	3.1198	2.4921	1.8325		2.8280
H10	1.9277	3.1877	2.8085	0.9653	2.4279	4.0945	3.4153	3.5939	2.8280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.089	C1	C2	H6	118.753
C1	C2	H7	115.705	C1	C3	C2	59.175
C1	C3	H8	118.804	C1	C3	H9	116.563
C1	O4	H10	107.211	C2	C1	C3	60.736
C2	C1	O4	115.363	C2	C1	H5	118.004
C2	C3	H8	118.758	C2	C3	H9	116.687
C3	C1	O4	119.003	C3	C1	H5	117.996
C3	C2	H6	118.906	C3	C2	H7	116.799
O4	C1	H5	114.985	H6	C2	H7	115.409
H8	C3	H9	115.361

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: TPSSh/6-311G**

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	0.016
2	C	-0.244
3	C	-0.256
4	O	-0.389
5	H	0.114
6	H	0.127
7	H	0.141
8	H	0.121
9	H	0.130
10	H	0.239

	x	y	z	Total
	0.339	1.305	0.698	1.519
CHELPG
AIM
ESP

	x	y	z
x	5.749	-0.194	0.051
y	-0.194	5.433	0.005
z	0.051	0.005	4.975

<r²>	73.332
(<r²>)^1/2	8.563

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)