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	hartrees
Energy at 0K	-192.645845
Energy at 298.15K	-192.652749
HF Energy	-191.937759
Nuclear repulsion energy	123.152617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3790	3676
2	A	3243	3146
3	A	3228	3131
4	A	3145	3051
5	A	3134	3040
6	A	3130	3037
7	A	1494	1449
8	A	1436	1393
9	A	1393	1351
10	A	1296	1257
11	A	1223	1186
12	A	1175	1140
13	A	1169	1134
14	A	1111	1078
15	A	1041	1009
16	A	1024	993
17	A	974	944
18	A	926	898
19	A	820	795
20	A	801	777
21	A	736	714
22	A	400	388
23	A	396	384
24	A	306	297

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	-0.015	0.491
C2	0.917	-0.752	-0.140
C3	0.890	0.784	-0.139
O4	-1.471	-0.113	-0.198
H5	-0.317	-0.022	1.586
H6	1.628	-1.265	0.513
H7	0.702	-1.245	-1.093
H8	1.582	1.320	0.519
H9	0.670	1.270	-1.094
H10	-1.916	0.742	-0.118

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5071	1.5186	1.4175	1.0973	2.2449	2.2143	2.2557	2.2330	1.9407
C2	1.5071		1.5361	2.4725	2.2432	1.0937	1.0936	2.2733	2.2490	3.2028
C3	1.5186	1.5361		2.5273	2.2542	2.2731	2.2501	1.0944	1.0942	2.8072
O4	1.4175	2.4725	2.5273		2.1266	3.3820	2.6090	3.4480	2.7020	0.9675
H5	1.0973	2.2432	2.2542	2.1266		2.5451	3.1155	2.5576	3.1344	2.4588
H6	2.2449	1.0937	2.2731	3.3820	2.5451		1.8531	2.5848	3.1505	4.1218
H7	2.2143	1.0936	2.2501	2.6090	3.1155	1.8531		3.1543	2.5155	3.4288
H8	2.2557	2.2733	1.0944	3.4480	2.5576	2.5848	3.1543		1.8540	3.6022
H9	2.2330	2.2490	1.0942	2.7020	3.1344	3.1505	2.5155	1.8540		2.8141
H10	1.9407	3.2028	2.8072	0.9675	2.4588	4.1218	3.4288	3.6022	2.8141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	59.859	C1	C2	H6	118.483
C1	C2	H7	115.822	C1	C3	C2	59.124
C1	C3	H8	118.469	C1	C3	H9	116.503
C1	O4	H10	107.411	C2	C1	C3	61.017
C2	C1	O4	115.396	C2	C1	H5	118.074
C2	C3	H8	118.624	C2	C3	H9	116.523
C3	C1	O4	118.765	C3	C1	H5	118.133
C3	C2	H6	118.659	C3	C2	H7	116.663
O4	C1	H5	114.887	H6	C2	H7	115.822
H8	C3	H9	115.796

All results from a given calculation for C₃H₅OH (Cyclopropanol)

using model chemistry: QCISD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₅OH (Cyclopropanol)