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	hartrees
Energy at 0K	-191.963497
Energy at 298.15K	-191.970722
HF Energy	-191.963497
Nuclear repulsion energy	125.358102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4168	3786	54.23
2	A	3366	3058	27.33
3	A	3348	3042	5.12
4	A	3280	2980	15.06
5	A	3268	2969	30.75
6	A	3263	2964	25.52
7	A	1644	1494	20.04
8	A	1573	1429	2.21
9	A	1536	1395	10.52
10	A	1415	1286	123.90
11	A	1335	1212	44.26
12	A	1295	1177	0.34
13	A	1285	1168	2.85
14	A	1236	1123	0.86
15	A	1184	1075	0.30
16	A	1162	1055	14.24
17	A	1068	970	13.20
18	A	1014	921	32.85
19	A	899	816	12.09
20	A	878	798	10.69
21	A	817	742	5.99
22	A	443	402	21.76
23	A	436	396	7.49
24	A	347	316	127.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.021	0.476
C2	0.908	-0.736	-0.136
C3	0.873	0.774	-0.132
O4	-1.445	-0.110	-0.197
H5	-0.322	-0.029	1.551
H6	1.608	-1.237	0.508
H7	0.715	-1.227	-1.073
H8	1.548	1.302	0.519
H9	0.669	1.260	-1.069
H10	-1.907	0.705	-0.106

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4832	1.4952	1.3843	1.0783	2.2111	2.1822	2.2229	2.2027	1.9102
C2	1.4832		1.5096	2.4358	2.2041	1.0754	1.0747	2.2338	2.2160	3.1624
C3	1.4952	1.5096		2.4819	2.2144	2.2339	2.2164	1.0759	1.0757	2.7815
O4	1.3843	2.4358	2.4819		2.0789	3.3300	2.5853	3.3857	2.6665	0.9407
H5	1.0783	2.2041	2.2144	2.0789		2.5039	3.0647	2.5162	3.0838	2.4074
H6	2.2111	1.0754	2.2339	3.3300	2.5039		1.8154	2.5392	3.0989	4.0623
H7	2.1822	1.0747	2.2164	2.5853	3.0647	1.8154		3.1018	2.4877	3.3977
H8	2.2229	2.2338	1.0759	3.3857	2.5162	2.5392	3.1018		1.8153	3.5615
H9	2.2027	2.2160	1.0757	2.6665	3.0838	3.0989	2.4877	1.8153		2.8066
H10	1.9102	3.1624	2.7815	0.9407	2.4074	4.0623	3.3977	3.5615	2.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.938	C1	C2	H6	118.711
C1	C2	H7	116.188	C1	C3	C2	59.157
C1	C3	H8	118.760	C1	C3	H9	116.975
C1	O4	H10	108.995	C2	C1	C3	60.905
C2	C1	O4	116.255	C2	C1	H5	117.868
C2	C3	H8	118.572	C2	C3	H9	117.004
C3	C1	O4	119.013	C3	C1	H5	117.826
C3	C2	H6	118.617	C3	C2	H7	117.107
O4	C1	H5	114.595	H6	C2	H7	115.195
H8	C3	H9	115.069

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: HF/6-311G**

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	0.106
2	C	-0.219
3	C	-0.240
4	O	-0.456
5	H	0.097
6	H	0.113
7	H	0.128
8	H	0.108
9	H	0.118
10	H	0.244

	x	y	z	Total
	0.410	1.395	0.771	1.646
CHELPG
AIM
ESP

	x	y	z
x	5.245	-0.178	0.025
y	-0.178	5.123	-0.001
z	0.025	-0.001	4.633

<r²>	72.429
(<r²>)^1/2	8.511

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)