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	hartrees
Energy at 0K	-193.115158
Energy at 298.15K	-193.122117
HF Energy	-193.115158
Nuclear repulsion energy	124.091554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3649	12.72
2	A	3241	3114	15.64
3	A	3225	3099	3.50
4	A	3150	3026	7.78
5	A	3140	3016	15.16
6	A	3105	2983	43.48
7	A	1519	1460	13.68
8	A	1466	1409	1.32
9	A	1427	1371	9.50
10	A	1302	1251	74.36
11	A	1234	1186	61.11
12	A	1199	1152	0.45
13	A	1196	1149	6.64
14	A	1129	1085	0.57
15	A	1071	1029	2.39
16	A	1054	1013	20.42
17	A	992	953	11.32
18	A	930	894	22.40
19	A	838	805	8.99
20	A	819	787	5.16
21	A	759	729	3.22
22	A	408	392	16.83
23	A	402	386	14.69
24	A	327	314	106.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.239	-0.013	0.481
C2	0.911	-0.743	-0.135
C3	0.889	0.774	-0.137
O4	-1.463	-0.112	-0.199
H5	-0.316	-0.017	1.570
H6	1.610	-1.258	0.516
H7	0.710	-1.241	-1.078
H8	1.573	1.310	0.514
H9	0.684	1.261	-1.085
H10	-1.919	0.735	-0.100

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4952	1.5080	1.4033	1.0914	2.2302	2.1999	2.2438	2.2201	1.9283
C2	1.4952		1.5170	2.4568	2.2222	1.0855	1.0851	2.2528	2.2296	3.1927
C3	1.5080	1.5170		2.5136	2.2338	2.2529	2.2309	1.0861	1.0858	2.8085
O4	1.4033	2.4568	2.5136		2.1104	3.3570	2.6014	3.4270	2.6976	0.9667
H5	1.0914	2.2222	2.2338	2.1104		2.5224	3.0920	2.5379	3.1117	2.4340
H6	2.2302	1.0855	2.2529	3.3570	2.5224		1.8306	2.5684	3.1255	4.0998
H7	2.1999	1.0851	2.2309	2.6014	3.0920	1.8306		3.1286	2.5022	3.4308
H8	2.2438	2.2528	1.0861	3.4270	2.5379	2.5684	3.1286		1.8310	3.5919
H9	2.2201	2.2296	1.0858	2.6976	3.1117	3.1255	2.5022	1.8310		2.8324
H10	1.9283	3.1927	2.8085	0.9667	2.4340	4.0998	3.4308	3.5919	2.8324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.077	C1	C2	H6	118.721
C1	C2	H7	116.085	C1	C3	C2	59.244
C1	C3	H8	118.860	C1	C3	H9	116.793
C1	O4	H10	107.470	C2	C1	C3	60.679
C2	C1	O4	115.875	C2	C1	H5	117.588
C2	C3	H8	118.928	C2	C3	H9	116.910
C3	C1	O4	119.359	C3	C1	H5	117.597
C3	C2	H6	118.986	C3	C2	H7	117.066
O4	C1	H5	114.981	H6	C2	H7	114.994
H8	C3	H9	114.927

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B3LYPultrafine/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	0.151
2	C	-0.227
3	C	-0.246
4	O	-0.532
5	H	0.089
6	H	0.111
7	H	0.127
8	H	0.107
9	H	0.115
10	H	0.306

	x	y	z	Total
	0.329	1.334	0.631	1.512
CHELPG
AIM
ESP

	x	y	z
x	5.305	-0.223	0.150
y	-0.223	5.003	0.008
z	0.150	0.008	4.619

<r²>	73.312
(<r²>)^1/2	8.562

All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B3LYPultrafine/6-31G**

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)