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	hartrees
Energy at 0K	-190.626462
Energy at 298.15K	-190.633380
HF Energy	-190.626462
Nuclear repulsion energy	122.310364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3823	3823	24.97
2	A	3622	3622	2.60
3	A	3616	3616	0.25
4	A	3473	3473	4.96
5	A	3462	3462	7.08
6	A	3432	3432	5.08
7	A	1679	1679	6.91
8	A	1600	1600	0.58
9	A	1590	1590	2.03
10	A	1464	1464	47.29
11	A	1333	1333	0.83
12	A	1301	1301	0.28
13	A	1279	1279	2.05
14	A	1253	1253	3.36
15	A	1234	1234	0.96
16	A	1222	1222	1.62
17	A	1093	1093	0.69
18	A	1049	1049	10.18
19	A	918	918	2.78
20	A	899	899	1.23
21	A	841	841	0.48
22	A	417	417	55.53
23	A	401	401	7.03
24	A	384	384	27.22

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.002	0.475
C2	0.929	-0.749	-0.114
C3	0.913	0.769	-0.152
O4	-1.498	-0.120	-0.218
H5	-0.309	0.032	1.575
H6	1.615	-1.252	0.568
H7	0.759	-1.270	-1.057
H8	1.586	1.319	0.506
H9	0.739	1.238	-1.121
H10	-1.960	0.756	0.017

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5171	1.5278	1.4327	1.1022	2.2494	2.2324	2.2596	2.2480	1.9245
C2	1.5171		1.5184	2.5094	2.2353	1.0904	1.0908	2.2564	2.2353	3.2604
C3	1.5278	1.5184		2.5704	2.2407	2.2574	2.2364	1.0904	1.0906	2.8783
O4	1.4327	2.5094	2.5704		2.1571	3.4044	2.6681	3.4793	2.7681	1.0178
H5	1.1022	2.2353	2.2407	2.1571		2.5228	3.1247	2.5279	3.1345	2.3835
H6	2.2494	1.0904	2.2574	3.4044	2.5228		1.8369	2.5715	3.1336	4.1375
H7	2.2324	1.0908	2.2364	2.6681	3.1247	1.8369		3.1356	2.5088	3.5567
H8	2.2596	2.2564	1.0904	3.4793	2.5279	2.5715	3.1356		1.8369	3.6241
H9	2.2480	2.2353	1.0906	2.7681	3.1345	3.1336	2.5088	1.8369		2.9687
H10	1.9245	3.2604	2.8783	1.0178	2.3835	4.1375	3.5567	3.6241	2.9687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.438	C1	C2	H6	118.314
C1	C2	H7	116.798	C1	C3	C2	59.740
C1	C3	H8	118.364	C1	C3	H9	117.330
C1	O4	H10	102.175	C2	C1	C3	59.823
C2	C1	O4	116.542	C2	C1	H5	116.270
C2	C3	H8	118.832	C2	C3	H9	116.959
C3	C1	O4	120.469	C3	C1	H5	115.915
C3	C2	H6	118.917	C3	C2	H7	117.041
O4	C1	H5	116.024	H6	C2	H7	114.740
H8	C3	H9	114.753

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: M06-2X/STO-3G

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	0.005
2	C	-0.162
3	C	-0.171
4	O	-0.250
5	H	0.070
6	H	0.081
7	H	0.088
8	H	0.078
9	H	0.082
10	H	0.178

	x	y	z	Total
	0.261	1.107	0.705	1.338
CHELPG
AIM
ESP

	x	y	z
x	3.118	-0.307	0.102
y	-0.307	2.611	0.067
z	0.102	0.067	2.357

<r²>	74.373
(<r²>)^1/2	8.624

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)