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	hartrees
Energy at 0K	-192.015596
Energy at 298.15K	-192.022520
HF Energy	-192.015596
Nuclear repulsion energy	123.820118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3539	3467	3.55
2	A	3213	3147	7.16
3	A	3195	3130	2.53
4	A	3114	3051	2.90
5	A	3103	3040	7.62
6	A	3065	3003	36.43
7	A	1478	1448	18.39
8	A	1430	1401	10.49
9	A	1404	1375	2.04
10	A	1267	1241	10.43
11	A	1204	1179	84.24
12	A	1173	1150	5.78
13	A	1171	1147	30.00
14	A	1109	1087	1.34
15	A	1061	1040	6.22
16	A	1044	1023	48.90
17	A	988	968	11.17
18	A	936	917	28.39
19	A	838	821	11.77
20	A	816	799	6.56
21	A	759	744	3.65
22	A	398	390	5.80
23	A	396	388	37.37
24	A	327	320	153.54

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	-0.003	0.487
C2	0.900	-0.746	-0.133
C3	0.899	0.767	-0.144
O4	-1.459	-0.108	-0.200
H5	-0.304	0.000	1.584
H6	1.602	-1.281	0.512
H7	0.667	-1.250	-1.075
H8	1.597	1.310	0.499
H9	0.684	1.254	-1.100
H10	-1.983	0.721	-0.082

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4888	1.5055	1.4114	1.0991	2.2347	2.1909	2.2500	2.2216	1.9796
C2	1.4888		1.5126	2.4450	2.2262	1.0928	1.0934	2.2603	2.2315	3.2355
C3	1.5055	1.5126		2.5150	2.2407	2.2625	2.2328	1.0936	1.0938	2.8827
O4	1.4114	2.4450	2.5150		2.1281	3.3545	2.5664	3.4402	2.6936	0.9877
H5	1.0991	2.2262	2.2407	2.1281		2.5349	3.0942	2.5506	3.1227	2.4728
H6	2.2347	1.0928	2.2625	3.3545	2.5349		1.8418	2.5908	3.1408	4.1489
H7	2.1909	1.0934	2.2328	2.5664	3.0942	1.8418		3.1451	2.5035	3.4481
H8	2.2500	2.2603	1.0936	3.4402	2.5506	2.5908	3.1451		1.8418	3.6742
H9	2.2216	2.2315	1.0938	2.6936	3.1227	3.1408	2.5035	1.8418		2.9041
H10	1.9796	3.2355	2.8827	0.9877	2.4728	4.1489	3.4481	3.6742	2.9041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.205	C1	C2	H6	119.113
C1	C2	H7	115.239	C1	C3	C2	59.115
C1	C3	H8	119.076	C1	C3	H9	116.555
C1	O4	H10	109.948	C2	C1	C3	60.680
C2	C1	O4	114.897	C2	C1	H5	117.896
C2	C3	H8	119.424	C2	C3	H9	116.866
C3	C1	O4	119.100	C3	C1	H5	117.854
C3	C2	H6	119.674	C3	C2	H7	117.005
O4	C1	H5	115.358	H6	C2	H7	114.808
H8	C3	H9	114.709

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: LSDA/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	0.005
2	C	-0.335
3	C	-0.353
4	O	-0.566
5	H	0.161
6	H	0.174
7	H	0.195
8	H	0.168
9	H	0.179
10	H	0.373

	x	y	z	Total
	0.325	1.562	0.791	1.781
CHELPG
AIM
ESP

	x	y	z
x	5.344	-0.261	0.225
y	-0.261	4.913	0.039
z	0.225	0.039	4.555

<r²>	73.541
(<r²>)^1/2	8.576

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)