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	hartrees
Energy at 0K	-193.047590
Energy at 298.15K	-193.054554
HF Energy	-192.779799
Nuclear repulsion energy	124.601008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3667	31.04
2	A	3254	3122	10.35
3	A	3238	3106	1.93
4	A	3167	3038	5.45
5	A	3157	3029	13.24
6	A	3144	3016	24.88
7	A	1516	1454	14.27
8	A	1469	1409	2.13
9	A	1419	1361	11.29
10	A	1300	1247	55.97
11	A	1236	1186	66.55
12	A	1202	1153	0.26
13	A	1192	1144	9.58
14	A	1135	1089	1.27
15	A	1072	1028	1.34
16	A	1046	1004	23.26
17	A	990	950	14.79
18	A	936	898	21.58
19	A	838	804	10.17
20	A	819	786	7.60
21	A	756	725	4.50
22	A	409	393	9.85
23	A	406	390	9.46
24	A	303	290	106.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	-0.014	0.480
C2	0.908	-0.740	-0.137
C3	0.884	0.773	-0.136
O4	-1.458	-0.111	-0.196
H5	-0.311	-0.023	1.560
H6	1.606	-1.248	0.510
H7	0.705	-1.231	-1.075
H8	1.562	1.303	0.514
H9	0.674	1.255	-1.078
H10	-1.922	0.726	-0.105

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4870	1.4991	1.4030	1.0822	2.2148	2.1862	2.2266	2.2049	1.9351
C2	1.4870		1.5133	2.4496	2.2088	1.0781	1.0780	2.2419	2.2185	3.1880
C3	1.4991	1.5133		2.5043	2.2220	2.2412	2.2196	1.0787	1.0786	2.8069
O4	1.4030	2.4496	2.5043		2.0995	3.3436	2.5897	3.4096	2.6816	0.9612
H5	1.0822	2.2088	2.2220	2.0995		2.5053	3.0713	2.5216	3.0920	2.4356
H6	2.2148	1.0781	2.2412	3.3436	2.5053		1.8230	2.5518	3.1073	4.0894
H7	2.1862	1.0780	2.2196	2.5897	3.0713	1.8230		3.1110	2.4857	3.4162
H8	2.2266	2.2419	1.0787	3.4096	2.5216	2.5518	3.1110		1.8234	3.5856
H9	2.2049	2.2185	1.0786	2.6816	3.0920	3.1073	2.4857	1.8234		2.8225
H10	1.9351	3.1880	2.8069	0.9612	2.4356	4.0894	3.4162	3.5856	2.8225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.947	C1	C2	H6	118.541
C1	C2	H7	116.016	C1	C3	C2	59.157
C1	C3	H8	118.574	C1	C3	H9	116.666
C1	O4	H10	108.422	C2	C1	C3	60.896
C2	C1	O4	115.880	C2	C1	H5	117.707
C2	C3	H8	118.795	C2	C3	H9	116.739
C3	C1	O4	119.255	C3	C1	H5	117.912
C3	C2	H6	118.777	C3	C2	H7	116.863
O4	C1	H5	114.690	H6	C2	H7	115.445
H8	C3	H9	115.391

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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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All results from a given calculation for C3H5OH (Cyclopropanol)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)