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	hartrees
Energy at 0K	-192.896207
Energy at 298.15K	-192.903009
HF Energy	-192.896207
Nuclear repulsion energy	123.267436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3662	17.44
2	A	3178	3158	11.86
3	A	3162	3143	2.24
4	A	3080	3061	6.72
5	A	3070	3052	14.47
6	A	3042	3023	33.70
7	A	1441	1433	17.99
8	A	1387	1378	2.87
9	A	1348	1340	6.50
10	A	1250	1242	60.42
11	A	1196	1189	49.71
12	A	1139	1132	14.78
13	A	1137	1130	0.32
14	A	1063	1056	2.07
15	A	999	993	6.48
16	A	986	980	23.17
17	A	951	945	10.23
18	A	901	896	18.36
19	A	806	801	10.87
20	A	786	781	5.99
21	A	726	722	3.15
22	A	393	391	7.95
23	A	387	384	11.53
24	A	287	285	97.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.010	0.484
C2	0.914	-0.748	-0.135
C3	0.896	0.777	-0.140
O4	-1.472	-0.112	-0.200
H5	-0.319	-0.013	1.583
H6	1.618	-1.270	0.524
H7	0.708	-1.250	-1.088
H8	1.585	1.319	0.519
H9	0.685	1.264	-1.100
H10	-1.937	0.738	-0.096

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5014	1.5142	1.4151	1.1022	2.2426	2.2138	2.2558	2.2326	1.9456
C2	1.5014		1.5255	2.4702	2.2390	1.0963	1.0963	2.2702	2.2438	3.2155
C3	1.5142	1.5255		2.5298	2.2516	2.2700	2.2454	1.0972	1.0968	2.8335
O4	1.4151	2.4702	2.5298		2.1257	3.3778	2.6140	3.4510	2.7127	0.9744
H5	1.1022	2.2390	2.2516	2.1257		2.5397	3.1173	2.5556	3.1368	2.4502
H6	2.2426	1.0963	2.2700	3.3778	2.5397		1.8515	2.5896	3.1514	4.1294
H7	2.2138	1.0963	2.2454	2.6140	3.1173	1.8515		3.1549	2.5145	3.4537
H8	2.2558	2.2702	1.0972	3.4510	2.5556	2.5896	3.1549		1.8530	3.6223
H9	2.2326	2.2438	1.0968	2.7127	3.1368	3.1514	2.5145	1.8530		2.8569
H10	1.9456	3.2155	2.8335	0.9744	2.4502	4.1294	3.4537	3.6223	2.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.030	C1	C2	H6	118.551
C1	C2	H7	116.034	C1	C3	C2	59.195
C1	C3	H8	118.627	C1	C3	H9	116.628
C1	O4	H10	107.594	C2	C1	C3	60.776
C2	C1	O4	115.739	C2	C1	H5	117.816
C2	C3	H8	118.999	C2	C3	H9	116.722
C3	C1	O4	119.412	C3	C1	H5	117.898
C3	C2	H6	119.042	C3	C2	H7	116.887
O4	C1	H5	114.662	H6	C2	H7	115.217
H8	C3	H9	115.254

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/aug-cc-pVDZ

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	1.178
2	C	0.952
3	C	0.921
4	O	-0.511
5	H	-0.513
6	H	-0.551
7	H	-0.503
8	H	-0.549
9	H	-0.529
10	H	0.105

	x	y	z	Total
	0.461	1.237	0.668	1.479
CHELPG
AIM
ESP

	x	y	z
x	7.021	-0.116	-0.047
y	-0.116	6.551	-0.013
z	-0.047	-0.013	5.974

<r²>	74.668
(<r²>)^1/2	8.641

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)