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	hartrees
Energy at 0K	-193.107756
Energy at 298.15K	-193.114570
HF Energy	-193.107756
Nuclear repulsion energy	123.214362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3637	15.97
2	A	3145	3134	15.24
3	A	3129	3119	2.15
4	A	3061	3051	8.79
5	A	3053	3042	16.28
6	A	3025	3015	32.60
7	A	1453	1448	9.85
8	A	1421	1416	1.66
9	A	1361	1357	9.51
10	A	1255	1251	49.24
11	A	1172	1168	56.96
12	A	1160	1156	0.69
13	A	1137	1133	16.53
14	A	1089	1085	1.68
15	A	1031	1028	1.70
16	A	1002	998	22.32
17	A	930	927	23.16
18	A	888	885	17.61
19	A	804	801	9.94
20	A	786	783	6.01
21	A	722	720	5.60
22	A	396	395	6.29
23	A	390	388	11.86
24	A	289	288	100.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	-0.008	0.483
C2	0.916	-0.751	-0.133
C3	0.901	0.777	-0.140
O4	-1.479	-0.111	-0.201
H5	-0.320	-0.010	1.571
H6	1.611	-1.267	0.523
H7	0.717	-1.248	-1.078
H8	1.583	1.314	0.514
H9	0.699	1.260	-1.093
H10	-1.959	0.728	-0.085

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5002	1.5141	1.4243	1.0915	2.2339	2.2082	2.2474	2.2274	1.9595
C2	1.5002		1.5281	2.4795	2.2309	1.0866	1.0865	2.2644	2.2388	3.2325
C3	1.5141	1.5281		2.5405	2.2445	2.2641	2.2397	1.0874	1.0868	2.8603
O4	1.4243	2.4795	2.5405		2.1199	3.3780	2.6238	3.4521	2.7233	0.9728
H5	1.0915	2.2309	2.2445	2.1199		2.5314	3.1022	2.5476	3.1219	2.4437
H6	2.2339	1.0866	2.2641	3.3780	2.5314		1.8337	2.5818	3.1357	4.1344
H7	2.2082	1.0865	2.2397	2.6238	3.1022	1.8337		3.1387	2.5087	3.4711
H8	2.2474	2.2644	1.0874	3.4521	2.5476	2.5818	3.1387		1.8352	3.6395
H9	2.2274	2.2388	1.0868	2.7233	3.1219	3.1357	2.5087	1.8352		2.8916
H10	1.9595	3.2325	2.8603	0.9728	2.4437	4.1344	3.4711	3.6395	2.8916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.991	C1	C2	H6	118.565
C1	C2	H7	116.313	C1	C3	C2	59.091
C1	C3	H8	118.594	C1	C3	H9	116.874
C1	O4	H10	108.178	C2	C1	C3	60.918
C2	C1	O4	115.934	C2	C1	H5	117.951
C2	C3	H8	118.979	C2	C3	H9	116.773
C3	C1	O4	119.642	C3	C1	H5	118.034
C3	C2	H6	119.008	C3	C2	H7	116.868
O4	C1	H5	114.183	H6	C2	H7	115.093
H8	C3	H9	115.146

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/aug-cc-pVTZ

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	0.374
2	C	-0.536
3	C	-0.566
4	O	-0.546
5	H	0.284
6	H	0.232
7	H	0.197
8	H	0.204
9	H	0.220
10	H	0.136

	x	y	z	Total
	0.503	1.230	0.711	1.507
CHELPG
AIM
ESP

	x	y	z
x	7.077	-0.118	-0.060
y	-0.118	6.572	-0.016
z	-0.060	-0.016	5.971

<r²>	74.963
(<r²>)^1/2	8.658

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)