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	hartrees
Energy at 0K	-192.570244
Energy at 298.15K	-192.577256
HF Energy	-191.924473
Nuclear repulsion energy	123.659831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3683	24.34
2	A	3270	3137	12.58
3	A	3254	3122	2.91
4	A	3172	3043	4.66
5	A	3159	3031	13.08
6	A	3140	3013	36.61
7	A	1530	1468	18.18
8	A	1450	1391	1.49
9	A	1430	1372	4.09
10	A	1334	1280	102.67
11	A	1251	1201	27.58
12	A	1202	1153	4.94
13	A	1197	1148	0.27
14	A	1135	1089	0.47
15	A	1077	1033	1.91
16	A	1064	1021	15.06
17	A	1004	963	8.59
18	A	951	912	24.01
19	A	842	808	9.82
20	A	823	790	5.18
21	A	762	731	2.99
22	A	410	393	27.00
23	A	405	388	5.26
24	A	338	324	96.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	-0.015	0.485
C2	0.913	-0.747	-0.136
C3	0.887	0.779	-0.138
O4	-1.463	-0.113	-0.200
H5	-0.313	-0.018	1.583
H6	1.625	-1.260	0.519
H7	0.704	-1.246	-1.088
H8	1.580	1.317	0.518
H9	0.671	1.266	-1.095
H10	-1.902	0.742	-0.097

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5031	1.5150	1.4029	1.1002	2.2450	2.2107	2.2575	2.2302	1.9138
C2	1.5031		1.5266	2.4603	2.2345	1.0949	1.0948	2.2657	2.2434	3.1848
C3	1.5150	1.5266		2.5144	2.2448	2.2658	2.2446	1.0955	1.0954	2.7889
O4	1.4029	2.4603	2.5144		2.1238	3.3716	2.6013	3.4380	2.6940	0.9666
H5	1.1002	2.2345	2.2448	2.1238		2.5360	3.1108	2.5496	3.1292	2.4335
H6	2.2450	1.0949	2.2658	3.3716	2.5360		1.8524	2.5771	3.1460	4.1016
H7	2.2107	1.0948	2.2446	2.6013	3.1108	1.8524		3.1492	2.5129	3.4239
H8	2.2575	2.2657	1.0955	3.4380	2.5496	2.5771	3.1492		1.8526	3.5817
H9	2.2302	2.2434	1.0954	2.6940	3.1292	3.1460	2.5129	1.8526		2.8087
H10	1.9138	3.1848	2.7889	0.9666	2.4335	4.1016	3.4239	3.5817	2.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.998	C1	C2	H6	118.722
C1	C2	H7	115.736	C1	C3	C2	59.232
C1	C3	H8	118.840	C1	C3	H9	116.458
C1	O4	H10	106.281	C2	C1	C3	60.770
C2	C1	O4	115.650	C2	C1	H5	117.418
C2	C3	H8	118.627	C2	C3	H9	116.689
C3	C1	O4	118.969	C3	C1	H5	117.388
C3	C2	H6	118.688	C3	C2	H7	116.838
O4	C1	H5	115.559	H6	C2	H7	115.554
H8	C3	H9	115.460

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)