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	hartrees
Energy at 0K	-191.789207
Energy at 298.15K	-191.796004
HF Energy	-191.789207
Nuclear repulsion energy	122.206744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3330	3175	1.63
2	A	3207	3058	8.84
3	A	3189	3040	1.99
4	A	3107	2962	4.05
5	A	3096	2952	9.34
6	A	3037	2896	44.70
7	A	1465	1397	8.62
8	A	1440	1373	6.90
9	A	1399	1334	1.77
10	A	1269	1210	52.60
11	A	1169	1115	0.30
12	A	1149	1096	40.48
13	A	1144	1091	24.13
14	A	1103	1052	1.68
15	A	1042	994	7.74
16	A	1014	967	38.85
17	A	939	895	13.48
18	A	875	834	18.61
19	A	807	769	7.99
20	A	782	745	3.46
21	A	736	702	3.48
22	A	381	363	32.99
23	A	357	340	20.83
24	A	331	316	95.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.005	0.498
C2	0.908	-0.764	-0.133
C3	0.919	0.776	-0.152
O4	-1.487	-0.111	-0.202
H5	-0.276	0.018	1.596
H6	1.608	-1.289	0.518
H7	0.657	-1.251	-1.077
H8	1.623	1.301	0.496
H9	0.700	1.242	-1.115
H10	-1.960	0.771	-0.081

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5151	1.5327	1.4384	1.0988	2.2528	2.2029	2.2659	2.2380	1.9732
C2	1.5151		1.5399	2.4830	2.2361	1.0912	1.0915	2.2740	2.2432	3.2526
C3	1.5327	1.5399		2.5643	2.2484	2.2782	2.2430	1.0920	1.0919	2.8789
O4	1.4384	2.4830	2.5643		2.1715	3.3894	2.5810	3.4861	2.7295	1.0079
H5	1.0988	2.2361	2.2484	2.1715		2.5339	3.1023	2.5413	3.1303	2.4924
H6	2.2528	1.0912	2.2782	3.3894	2.5339		1.8577	2.5905	3.1465	4.1633
H7	2.2029	1.0915	2.2430	2.5810	3.1023	1.8577		3.1497	2.4937	3.4534
H8	2.2659	2.2740	1.0920	3.4861	2.5413	2.5905	3.1497		1.8577	3.6670
H9	2.2380	2.2432	1.0919	2.7295	3.1303	3.1465	2.4937	1.8577		2.8926
H10	1.9732	3.2526	2.8789	1.0079	2.4924	4.1633	3.4534	3.6670	2.8926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.217	C1	C2	H6	118.713
C1	C2	H7	114.396	C1	C3	C2	59.090
C1	C3	H8	118.410	C1	C3	H9	116.001
C1	O4	H10	106.194	C2	C1	C3	60.693
C2	C1	O4	114.406	C2	C1	H5	116.726
C2	C3	H8	118.553	C2	C3	H9	115.895
C3	C1	O4	119.302	C3	C1	H5	116.423
C3	C2	H6	118.973	C3	C2	H7	115.904
O4	C1	H5	117.083	H6	C2	H7	116.661
H8	C3	H9	116.564

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: PBEPBE/3-21G*

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	-0.041
2	C	-0.422
3	C	-0.444
4	O	-0.506
5	H	0.196
6	H	0.213
7	H	0.238
8	H	0.209
9	H	0.223
10	H	0.333

	x	y	z	Total
	0.263	1.410	0.646	1.573
CHELPG
AIM
ESP

	x	y	z
x	5.166	-0.289	0.218
y	-0.289	4.722	0.031
z	0.218	0.031	4.313

<r²>	75.017
(<r²>)^1/2	8.661

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)