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	hartrees
Energy at 0K	-193.061911
Energy at 298.15K	-193.068823
HF Energy	-193.061911
Nuclear repulsion energy	123.910086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3669	14.36
2	A	3179	3133	17.49
3	A	3162	3117	3.18
4	A	3087	3043	11.45
5	A	3078	3033	19.11
6	A	3045	3001	42.60
7	A	1471	1450	12.33
8	A	1430	1410	2.26
9	A	1383	1364	7.77
10	A	1274	1255	48.93
11	A	1196	1179	57.13
12	A	1173	1156	0.28
13	A	1160	1143	16.96
14	A	1098	1082	1.25
15	A	1041	1026	3.08
16	A	1019	1004	26.83
17	A	961	947	16.51
18	A	914	900	23.08
19	A	823	811	11.30
20	A	806	794	7.30
21	A	745	734	5.10
22	A	408	402	9.38
23	A	401	396	15.78
24	A	316	311	109.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	-0.014	0.481
C2	0.912	-0.743	-0.136
C3	0.892	0.773	-0.137
O4	-1.471	-0.111	-0.197
H5	-0.312	-0.018	1.570
H6	1.609	-1.259	0.517
H7	0.711	-1.237	-1.082
H8	1.573	1.308	0.519
H9	0.687	1.259	-1.088
H10	-1.917	0.742	-0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4922	1.5062	1.4130	1.0920	2.2252	2.1988	2.2394	2.2197	1.9345
C2	1.4922		1.5165	2.4652	2.2213	1.0862	1.0858	2.2527	2.2276	3.1947
C3	1.5062	1.5165		2.5231	2.2338	2.2525	2.2285	1.0869	1.0865	2.8089
O4	1.4130	2.4652	2.5231		2.1148	3.3632	2.6099	3.4338	2.7066	0.9674
H5	1.0920	2.2213	2.2338	2.1148		2.5177	3.0931	2.5332	3.1130	2.4400
H6	2.2252	1.0862	2.2525	3.3632	2.5177		1.8344	2.5676	3.1248	4.1014
H7	2.1988	1.0858	2.2285	2.6099	3.0931	1.8344		3.1281	2.4957	3.4323
H8	2.2394	2.2527	1.0869	3.4338	2.5332	2.5676	3.1281		1.8354	3.5900
H9	2.2197	2.2276	1.0865	2.7066	3.1130	3.1248	2.4957	1.8354		2.8313
H10	1.9345	3.1947	2.8089	0.9674	2.4400	4.1014	3.4323	3.5900	2.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.078	C1	C2	H6	118.471
C1	C2	H7	116.170	C1	C3	C2	59.161
C1	C3	H8	118.551	C1	C3	H9	116.839
C1	O4	H10	107.232	C2	C1	C3	60.761
C2	C1	O4	116.084	C2	C1	H5	117.704
C2	C3	H8	118.912	C2	C3	H9	116.731
C3	C1	O4	119.567	C3	C1	H5	117.689
C3	C2	H6	118.943	C3	C2	H7	116.855
O4	C1	H5	114.572	H6	C2	H7	115.249
H8	C3	H9	115.234

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/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	-0.067
2	C	-0.235
3	C	-0.284
4	O	-0.327
5	H	0.121
6	H	0.134
7	H	0.138
8	H	0.124
9	H	0.139
10	H	0.258

	x	y	z	Total
	0.435	1.335	0.663	1.553
CHELPG
AIM
ESP

	x	y	z
x	6.252	-0.153	0.030
y	-0.153	5.922	-0.003
z	0.030	-0.003	5.377

<r²>	73.870
(<r²>)^1/2	8.595

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)