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	hartrees
Energy at 0K	-192.088494
Energy at 298.15K	-192.095376
HF Energy	-192.088494
Nuclear repulsion energy	124.842795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3661	16.12
2	A	3191	3139	4.62
3	A	3176	3125	2.09
4	A	3095	3045	3.47
5	A	3085	3035	7.64
6	A	3028	2978	38.84
7	A	1474	1450	27.70
8	A	1387	1364	5.26
9	A	1378	1355	4.35
10	A	1253	1233	59.80
11	A	1223	1203	77.27
12	A	1188	1168	6.82
13	A	1148	1129	0.15
14	A	1075	1058	1.50
15	A	1027	1011	26.36
16	A	1013	997	0.58
17	A	971	955	13.93
18	A	925	910	22.48
19	A	835	822	9.18
20	A	794	781	5.73
21	A	740	728	1.65
22	A	400	394	35.55
23	A	396	390	4.61
24	A	323	318	102.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.012	0.481
C2	0.900	-0.736	-0.137
C3	0.880	0.766	-0.138
O4	-1.444	-0.112	-0.196
H5	-0.304	-0.018	1.581
H6	1.607	-1.261	0.511
H7	0.676	-1.235	-1.084
H8	1.574	1.309	0.512
H9	0.658	1.255	-1.091
H10	-1.901	0.744	-0.104

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4846	1.4975	1.3852	1.1022	2.2300	2.1873	2.2440	2.2098	1.9172
C2	1.4846		1.5025	2.4262	2.2171	1.0934	1.0937	2.2486	2.2213	3.1683
C3	1.4975	1.5025		2.4853	2.2297	2.2495	2.2234	1.0942	1.0943	2.7818
O4	1.3852	2.4262	2.4853		2.1137	3.3363	2.5586	3.4101	2.6626	0.9749
H5	1.1022	2.2171	2.2297	2.1137		2.5188	3.0896	2.5362	3.1126	2.4442
H6	2.2300	1.0934	2.2495	3.3363	2.5188		1.8466	2.5703	3.1304	4.0878
H7	2.1873	1.0937	2.2234	2.5586	3.0896	1.8466		3.1342	2.4905	3.3945
H8	2.2440	2.2486	1.0942	3.4101	2.5362	2.5703	3.1342		1.8468	3.5746
H9	2.2098	2.2213	1.0943	2.6626	3.1126	3.1304	2.4905	1.8468		2.7904
H10	1.9172	3.1683	2.7818	0.9749	2.4442	4.0878	3.3945	3.5746	2.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.169	C1	C2	H6	118.985
C1	C2	H7	115.224	C1	C3	C2	59.320
C1	C3	H8	119.141	C1	C3	H9	116.129
C1	O4	H10	107.372	C2	C1	C3	60.511
C2	C1	O4	115.391	C2	C1	H5	117.219
C2	C3	H8	119.148	C2	C3	H9	116.732
C3	C1	O4	119.066	C3	C1	H5	117.309
C3	C2	H6	119.282	C3	C2	H7	116.947
O4	C1	H5	115.899	H6	C2	H7	115.193
H8	C3	H9	115.099

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: SVWN/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	0.076
2	C	-0.297
3	C	-0.312
4	O	-0.501
5	H	0.119
6	H	0.144
7	H	0.160
8	H	0.139
9	H	0.146
10	H	0.326

	x	y	z	Total
	0.201	1.352	0.565	1.479
CHELPG
AIM
ESP

	x	y	z
x	5.401	-0.229	0.184
y	-0.229	5.082	0.005
z	0.184	0.005	4.764

<r²>	72.358
(<r²>)^1/2	8.506

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: SVWN/6-31G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)