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	hartrees
Energy at 0K	-193.035036
Energy at 298.15K	-193.042031
HF Energy	-193.035036
Nuclear repulsion energy	124.570596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3709	42.88
2	A	3262	3106	6.98
3	A	3248	3093	2.40
4	A	3168	3016	5.09
5	A	3158	3007	10.04
6	A	3152	3001	24.88
7	A	1528	1455	21.67
8	A	1456	1386	2.81
9	A	1420	1352	13.30
10	A	1296	1235	77.98
11	A	1256	1196	56.14
12	A	1208	1150	5.85
13	A	1190	1133	0.28
14	A	1121	1067	1.28
15	A	1064	1013	2.49
16	A	1055	1005	24.43
17	A	1006	958	9.74
18	A	957	911	27.83
19	A	852	812	12.77
20	A	830	790	7.36
21	A	761	724	3.07
22	A	416	396	20.42
23	A	409	390	5.83
24	A	327	311	128.49

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	-0.018	0.485
C2	0.908	-0.738	-0.140
C3	0.879	0.774	-0.135
O4	-1.453	-0.112	-0.196
H5	-0.314	-0.033	1.570
H6	1.616	-1.247	0.504
H7	0.696	-1.229	-1.083
H8	1.564	1.306	0.516
H9	0.660	1.261	-1.080
H10	-1.918	0.729	-0.112

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4884	1.5004	1.3993	1.0884	2.2217	2.1888	2.2336	2.2098	1.9359
C2	1.4884		1.5123	2.4437	2.2175	1.0839	1.0842	2.2451	2.2222	3.1841
C3	1.5004	1.5123		2.4953	2.2321	2.2443	2.2238	1.0845	1.0848	2.7972
O4	1.3993	2.4437	2.4953		2.1037	3.3465	2.5791	3.4088	2.6701	0.9638
H5	1.0884	2.2175	2.2321	2.1037		2.5173	3.0807	2.5362	3.1056	2.4463
H6	2.2217	1.0839	2.2443	3.3465	2.5173		1.8345	2.5544	3.1160	4.0953
H7	2.1888	1.0842	2.2238	2.5791	3.0807	1.8345		3.1210	2.4901	3.4066
H8	2.2336	2.2451	1.0845	3.4088	2.5362	2.5544	3.1210		1.8340	3.5847
H9	2.2098	2.2222	1.0848	2.6701	3.1056	3.1160	2.4901	1.8340		2.8045
H10	1.9359	3.1841	2.7972	0.9638	2.4463	4.0953	3.4066	3.5847	2.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.996	C1	C2	H6	118.620
C1	C2	H7	115.709	C1	C3	C2	59.213
C1	C3	H8	118.675	C1	C3	H9	116.550
C1	O4	H10	108.606	C2	C1	C3	60.790
C2	C1	O4	115.574	C2	C1	H5	117.921
C2	C3	H8	118.739	C2	C3	H9	116.703
C3	C1	O4	118.712	C3	C1	H5	118.261
C3	C2	H6	118.708	C3	C2	H7	116.888
O4	C1	H5	114.907	H6	C2	H7	115.588
H8	C3	H9	115.434

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: M06-2X/6-31+G**

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	-0.091
2	C	-0.253
3	C	-0.322
4	O	-0.536
5	H	0.151
6	H	0.167
7	H	0.184
8	H	0.164
9	H	0.174
10	H	0.362

	x	y	z	Total
	0.510	1.444	0.765	1.712
CHELPG
AIM
ESP

	x	y	z
x	5.944	-0.105	-0.013
y	-0.105	5.675	-0.015
z	-0.013	-0.015	5.189

<r²>	73.192
(<r²>)^1/2	8.555

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)