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	hartrees
Energy at 0K	-192.981398
Energy at 298.15K	-192.988288
HF Energy	-192.981398
Nuclear repulsion energy	123.692951

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3571	6.24
2	A	3188	3126	22.80
3	A	3171	3109	4.59
4	A	3098	3038	12.07
5	A	3088	3027	21.29
6	A	3039	2979	57.07
7	A	1495	1466	11.37
8	A	1450	1421	1.07
9	A	1408	1380	8.41
10	A	1294	1269	73.51
11	A	1212	1189	48.79
12	A	1183	1160	0.14
13	A	1174	1151	13.31
14	A	1103	1082	0.88
15	A	1043	1023	5.41
16	A	1027	1007	21.21
17	A	975	956	10.93
18	A	921	903	20.45
19	A	829	813	10.75
20	A	810	794	4.73
21	A	750	736	3.11
22	A	403	395	15.59
23	A	397	389	17.51
24	A	320	313	101.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	-0.012	0.482
C2	0.912	-0.744	-0.135
C3	0.893	0.774	-0.138
O4	-1.470	-0.113	-0.199
H5	-0.313	-0.016	1.576
H6	1.612	-1.262	0.521
H7	0.713	-1.245	-1.083
H8	1.580	1.311	0.518
H9	0.688	1.262	-1.091
H10	-1.915	0.748	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4978	1.5111	1.4097	1.0971	2.2347	2.2077	2.2503	2.2270	1.9300
C2	1.4978		1.5181	2.4654	2.2276	1.0905	1.0898	2.2578	2.2339	3.1973
C3	1.5111	1.5181		2.5241	2.2397	2.2576	2.2357	1.0912	1.0906	2.8081
O4	1.4097	2.4654	2.5241		2.1209	3.3676	2.6130	3.4413	2.7101	0.9742
H5	1.0971	2.2276	2.2397	2.1209		2.5250	3.1038	2.5432	3.1230	2.4416
H6	2.2347	1.0905	2.2576	3.3676	2.5250		1.8388	2.5738	3.1346	4.1075
H7	2.2077	1.0898	2.2357	2.6130	3.1038	1.8388		3.1377	2.5070	3.4414
H8	2.2503	2.2578	1.0912	3.4413	2.5432	2.5738	3.1377		1.8398	3.5936
H9	2.2270	2.2339	1.0906	2.7101	3.1230	3.1346	2.5070	1.8398		2.8325
H10	1.9300	3.1973	2.8081	0.9742	2.4416	4.1075	3.4414	3.5936	2.8325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.134	C1	C2	H6	118.554
C1	C2	H7	116.229	C1	C3	C2	59.267
C1	C3	H8	118.814	C1	C3	H9	116.809
C1	O4	H10	106.687	C2	C1	C3	60.599
C2	C1	O4	115.944	C2	C1	H5	117.456
C2	C3	H8	118.923	C2	C3	H9	116.863
C3	C1	O4	119.543	C3	C1	H5	117.469
C3	C2	H6	118.957	C3	C2	H7	117.081
O4	C1	H5	115.009	H6	C2	H7	114.996
H8	C3	H9	114.969

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B97D3/6-31G*

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	0.098
2	C	-0.324
3	C	-0.343
4	O	-0.595
5	H	0.134
6	H	0.157
7	H	0.173
8	H	0.153
9	H	0.161
10	H	0.387

	x	y	z	Total
	0.337	1.338	0.606	1.507
CHELPG
AIM
ESP

	x	y	z
x	5.389	-0.216	0.163
y	-0.216	5.049	0.011
z	0.163	0.011	4.666

<r²>	73.636
(<r²>)^1/2	8.581

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)