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	hartrees
Energy at 0K	-193.034703
Energy at 298.15K	-193.041516
HF Energy	-193.034703
Nuclear repulsion energy	123.172524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3645	3625	7.33
2	A	3156	3139	17.71
3	A	3139	3122	2.73
4	A	3066	3049	9.39
5	A	3056	3039	16.75
6	A	3007	2990	46.27
7	A	1450	1442	9.71
8	A	1414	1407	0.67
9	A	1376	1369	6.56
10	A	1268	1261	62.23
11	A	1182	1175	52.55
12	A	1160	1154	0.22
13	A	1148	1141	10.50
14	A	1089	1083	0.82
15	A	1030	1024	2.03
16	A	1007	1001	16.90
17	A	948	943	15.61
18	A	887	882	16.20
19	A	805	801	7.82
20	A	786	782	4.04
21	A	727	723	2.91
22	A	389	387	7.58
23	A	386	384	16.49
24	A	304	303	89.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	-0.008	0.483
C2	0.915	-0.752	-0.132
C3	0.901	0.778	-0.140
O4	-1.475	-0.112	-0.202
H5	-0.320	-0.007	1.578
H6	1.613	-1.272	0.525
H7	0.715	-1.252	-1.081
H8	1.588	1.317	0.515
H9	0.698	1.263	-1.096
H10	-1.936	0.740	-0.094

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5069	1.5206	1.4140	1.0976	2.2446	2.2156	2.2594	2.2345	1.9392
C2	1.5069		1.5295	2.4750	2.2375	1.0906	1.0905	2.2695	2.2435	3.2173
C3	1.5206	1.5295		2.5373	2.2489	2.2693	2.2448	1.0914	1.0910	2.8370
O4	1.4140	2.4750	2.5373		2.1242	3.3774	2.6208	3.4543	2.7219	0.9738
H5	1.0976	2.2375	2.2489	2.1242		2.5388	3.1131	2.5539	3.1303	2.4419
H6	2.2446	1.0906	2.2693	3.3774	2.5388		1.8395	2.5889	3.1445	4.1254
H7	2.2156	1.0905	2.2448	2.6208	3.1131	1.8395		3.1474	2.5148	3.4591
H8	2.2594	2.2695	1.0914	3.4543	2.5539	2.5889	3.1474		1.8410	3.6218
H9	2.2345	2.2435	1.0910	2.7219	3.1303	3.1445	2.5148	1.8410		2.8658
H10	1.9392	3.2173	2.8370	0.9738	2.4419	4.1254	3.4591	3.6218	2.8658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.102	C1	C2	H6	118.696
C1	C2	H7	116.159	C1	C3	C2	59.211
C1	C3	H8	118.848	C1	C3	H9	116.690
C1	O4	H10	107.165	C2	C1	C3	60.688
C2	C1	O4	115.810	C2	C1	H5	117.574
C2	C3	H8	119.027	C2	C3	H9	116.774
C3	C1	O4	119.627	C3	C1	H5	117.484
C3	C2	H6	119.064	C3	C2	H7	116.926
O4	C1	H5	114.922	H6	C2	H7	114.993
H8	C3	H9	115.030

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: BLYP/6-31G(2df,p)

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	0.126
2	C	-0.222
3	C	-0.251
4	O	-0.371
5	H	0.063
6	H	0.095
7	H	0.106
8	H	0.092
9	H	0.096
10	H	0.266

	x	y	z	Total
	0.254	1.192	0.564	1.342
CHELPG
AIM
ESP

	x	y	z
x	5.749	-0.217	0.096
y	-0.217	5.328	-0.001
z	0.096	-0.001	4.932

<r²>	74.307
(<r²>)^1/2	8.620

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)